Butanal
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
- CAS Registry Number: 123-72-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Butyraldehyde; n-Butanal; n-Butyl aldehyde; n-Butyraldehyde; Butal; Butaldehyde; Butanaldehyde; Butyl aldehyde; Butyral; Butyric aldehyde; Butyrylaldehyde; n-C3H7CHO; Aldehyde butyrique; Aldeide butirrica; Butalyde; Butyraldehyd; NCI-C56291; UN 1129; 1-Butanal; Butan-1-al; NSC 62779
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -50.61 ± 0.22 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
ΔfH°gas | -48.85 ± 0.34 | kcal/mol | Chyd | Buckley and Cox, 1967 | ALS |
ΔfH°gas | -49.40 | kcal/mol | N/A | Nicholson, 1960 | Value computed using ΔfHliquid° value of -240.3 kj/mol from Nicholson, 1960 and ΔvapH° value of 33.6 kj/mol from Wiberg, Crocker, et al., 1991.; DRB |
ΔfH°gas | -49.02 | kcal/mol | N/A | Tjebbes, 1960 | Value computed using ΔfHliquid° value of -238.7±0.7 kj/mol from Tjebbes, 1960 and ΔvapH° value of 33.6 kj/mol from Wiberg, Crocker, et al., 1991.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 82.40 ± 1.0 | cal/mol*K | N/A | Chermin, 1961 | This value calculated from calorimetric data is close to value of 345.5(2.3) J/mol*K obtained from equilibrium measurements [ Buckley E., 1967].; GT |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -58.66 ± 0.20 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
ΔfH°liquid | -56.90 ± 0.35 | kcal/mol | Chyd | Buckley and Cox, 1967 | ALS |
ΔfH°liquid | -57.43 | kcal/mol | Ccb | Nicholson, 1960 | ALS |
ΔfH°liquid | -57.06 ± 0.17 | kcal/mol | Ccb | Tjebbes, 1960 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -592.05 ± 0.34 | kcal/mol | Ccb | Nicholson, 1960 | Corresponding ΔfHºliquid = -57.41 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -592.42 ± 0.17 | kcal/mol | Ccb | Tjebbes, 1960 | Corresponding ΔfHºliquid = -57.04 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 58.01 | cal/mol*K | N/A | Vasil'ev and Lebedev, 1989 | DH |
S°liquid | 59.01 | cal/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 43.93 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.36 | 298.15 | Vasil'ev and Lebedev, 1989 | T = 11 to 330 K.; DH |
39.080 | 298.15 | Parks, Kennedy, et al., 1956 | T = 80 to 300 K.; DH |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 348. ± 2. | K | AVG | N/A | Average of 31 out of 33 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 176. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 176.28 | K | N/A | Vasil'ev and Lebedev, 1989, 2 | Uncertainty assigned by TRC = 0.02 K; corrected to 100 % purity by extrapolation; TRC |
Ttriple | 176.8 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 176.8 | K | N/A | Parks, Kennedy, et al., 1956, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537.1 | K | N/A | Anselme and Teja, 1990 | Uncertainty assigned by TRC = 4. K; TRC |
Tc | 537.2 | K | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.8 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 42.64 | atm | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.987 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.88 | mol/l | N/A | Anselme and Teja, 1990 | Uncertainty assigned by TRC = 0.07 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.93 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 313. to 353. K.; AC |
ΔvapH° | 8.03 | kcal/mol | N/A | Wiberg, Crocker, et al., 1991 | DRB |
ΔvapH° | 8.05 ± 0.1 | kcal/mol | EB | Buckley and Cox, 1967, 2 | See also Verevkin, Krasnykh, et al., 2003.; AC |
ΔvapH° | 8.1 ± 0.1 | kcal/mol | V | Buckley and Cox, 1967 | ALS |
ΔvapH° | 8.05 | kcal/mol | N/A | Buckley and Cox, 1967 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.17 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 349. K.; AC |
7.86 | 339. | EB | Wojtasinski, 1963 | Based on data from 330. to 348. K.; AC |
7.96 | 319. | N/A | Seprakova, Paulech, et al., 1959 | Based on data from 304. to 347. K. See also Boublik, Fried, et al., 1984.; AC |
8.10 | 306. | N/A | Kuchinskaya, 1938 | Based on data from 258. to 353. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
303.86 to 347.18 | 3.58541 | 952.851 | -82.569 | Seprakova, Paulech, et al., 1959, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.5748 | 176.28 | Vasil'ev and Lebedev, 1989 | DH |
2.651 | 176.8 | Domalski and Hearing, 1996 | See also Vasil'ev and Lebedev, 1989, 2.; AC |
2.6539 | 176.8 | Parks, Kennedy, et al., 1956 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.61 | 176.28 | Vasil'ev and Lebedev, 1989 | DH |
15.01 | 176.8 | Parks, Kennedy, et al., 1956 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0184 | 192.2 | liquid | liquid | Vasil'ev and Lebedev, 1989 | T = 180 to 210 K.; DH |
0.0152 | 284.8 | liquid | liquid | Vasil'ev and Lebedev, 1989 | T = 260 to 280 K.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0927 | 192.2 | liquid | liquid | Vasil'ev and Lebedev, 1989 | T; DH |
0.0533 | 284.8 | liquid | liquid | Vasil'ev and Lebedev, 1989 | T; DH |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 364.8 ± 2.1 | kcal/mol | D-EA | Alconcel, Deyerl, et al., 2001 | gas phase; B |
ΔrH° | 364.1 ± 2.3 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 358.2 ± 2.3 | kcal/mol | H-TS | Alconcel, Deyerl, et al., 2001 | gas phase; B |
ΔrG° | 357.6 ± 2.5 | kcal/mol | H-TS | Zimmerman, Reed, et al., 1977 | gas phase; B |
By formula: NO- + C4H8O = (NO- • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.2 | kcal/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
By formula: C6H14O2 + H2O = C4H8O + 2CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.65 ± 0.03 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase; ALS |
ΔrH° | 8.732 ± 0.023 | kcal/mol | Eqk | Wiberg and Squires, 1981 | liquid phase; ALS |
By formula: H2 + C4H6O = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24.91 ± 0.10 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -25.2 ± 0.1 kcal/mol; At 355°K; ALS |
(CAS Reg. No. 26232-84-8 • 4294967295) +
= CAS Reg. No. 26232-84-8
By formula: (CAS Reg. No. 26232-84-8 • 4294967295C4H8O) + C4H8O = CAS Reg. No. 26232-84-8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.8 ± 2.2 | kcal/mol | N/A | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: C4H8O + H2 = C4H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -19.57 ± 0.18 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -16.85 ± 0.30 | kcal/mol | Chyd | Buckley and Cox, 1967 | gas phase; ALS |
By formula: Mg+ + C4H8O = (Mg+ • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66. ± 5. | kcal/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M |
By formula: C4H8O + 2CH4O = C6H14O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.1 ± 0.3 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
By formula: 3C4H8O = C12H24O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.039 | kcal/mol | Eqk | Ogorodnikov, Katsnel'son, et al., 1990 | liquid phase; PMR; ALS |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
9.6 | 6200. | M | N/A | The data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong. |
5.4 | 4000. | X | N/A | |
8.6 | M | Buttery, Ling, et al., 1969 |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C4H8O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.82 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 189.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 181.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.000694 | EFD | Desfrancois, Abdoul-Carime, et al., 1994 | EA: 0.7 meV. Dipole-bound state.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.83 | PI | Traeger and McAdoo, 1986 | LBLHLM |
9.8 | EI | McAdoo and Hudson, 1983 | LBLHLM |
9.73 ± 0.015 | EI | El-Sherbini, Allam, et al., 1981 | LLK |
9.836 ± 0.005 | PE | Hernandez, Masclet, et al., 1977 | LLK |
9.73 ± 0.03 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.86 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.85 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
9.83 | PE | Kimura, Katsumata, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H3O+ | 10.19 | C2H5 | PI | Traeger and McAdoo, 1986 | LBLHLM |
C2H4O+ | 10.52 | C2H4 | EI | Holmes, Terlouw, et al., 1976 | LLK |
C3H5O+ | 10.22 | ? | EI | Mouvier and Hernandez, 1975 | LLK |
De-protonation reactions
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 364.8 ± 2.1 | kcal/mol | D-EA | Alconcel, Deyerl, et al., 2001 | gas phase; B |
ΔrH° | 364.1 ± 2.3 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 358.2 ± 2.3 | kcal/mol | H-TS | Alconcel, Deyerl, et al., 2001 | gas phase; B |
ΔrG° | 357.6 ± 2.5 | kcal/mol | H-TS | Zimmerman, Reed, et al., 1977 | gas phase; B |
Ion clustering data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Mg+ + C4H8O = (Mg+ • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66. ± 5. | kcal/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH |
By formula: NO- + C4H8O = (NO- • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.2 | kcal/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978 |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 19131 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Fihtengolts, et al., 1969 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 20173 |
Instrument | SF-4 |
Boiling point | 75 |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 313. | 571.50 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 323. | 570.91 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 333. | 568.78 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 343. | 569.15 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 353. | 571.57 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 363. | 573.77 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 373. | 575.99 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 383. | 578.18 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 393. | 580.49 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 403. | 583.70 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 413. | 587.66 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 423. | 588.95 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 343. | 615.44 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 353. | 618.79 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | HP-1 | 110. | 573.33 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 20. | 570.9 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 30. | 570.7 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 50. | 571.10 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 70. | 571.9 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 90. | 572.54 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Packed | C78, Branched paraffin | 130. | 542.1 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | HP-1 | 110. | 573. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 50. | 571. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 70. | 572. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 90. | 572. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Packed | SE-30 | 100. | 574. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | SE-30 | 150. | 574. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
Packed | Apiezon L | 120. | 556. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 563. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 70. | 553. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Apiezon L | 100. | 554. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 150. | 568. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 130. | 555. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 553. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 586. | Greenberg, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Capillary | SE-30 | 586. | Greenberg, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 605. | Minyard, Tumlinson, et al., 1967 | He, Chromasorb W; Column length: 6.1 m; Program: 150C (10min) => 15C/min => 200C(16min) => 10C/min => 240C |
Packed | Apiezon L | 594. | Minyard, Tumlinson, et al., 1967 | N2, Gas Chrom P; Column length: 3.0 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 70. | 854.46 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 80. | 867.47 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 90. | 874.62 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 100. | 891.30 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 110. | 911.46 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | HP-Innowax | 110. | 907.2 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 50. | 894.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 70. | 897.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 90. | 901.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Packed | Carbowax 4000 | 105. | 906. | Minyard, Tumlinson, et al., 1967 | N2, GAS Chrom P; Column length: 10. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 867. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | Carbowax 20M | 853. | Kevei and Kozma, 1976 | Chromosorb; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 593. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 600. | Elmore, Cooper, et al., 2005 | 0. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | HP-5 | 561. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | DB-5 | 589.5 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | CP-Sil 8CB-MS | 593. | Bruna, Hierro, et al., 2001 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | CP Sil 5 CB | 600. | Pino, Marbot, et al., 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | DB-1 | 575. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Capillary | DB-1 | 571. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | DB-1 | 570. | Kaiser and Siegl, 1994 | 60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; Tend: 180. C |
Capillary | HP-1 | 613. | Zhang, Dorjpalam, et al., 1992 | 50. m/0.32 mm/1.5 μm, 2. K/min, 220. C @ 30. min; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 598. | Majcher and Jelen, 2007 | 30. m/0.53 mm/1.5 μm; Program: 40C(1min) => 6C/min => 180C => 20C/min => 280C |
Capillary | DB-5 | 596. | Majcher and Jelén, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 6C/min => 180C => 20C/min => 280C |
Capillary | HP-5 | 595. | Engel, Baty, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) |
Capillary | RTX-5 | 596. | Fuhrmann and Grosch, 2002 | Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 839. | Lopez-Galilea I., Fournier N., et al., 2006 | 30. m/0.32 mm/0.5 μm, He, 5. K/min, 240. C @ 10. min; Tstart: 40. C |
Capillary | CP-Wax 52CB | 875. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
Capillary | Supelcowax-10 | 875. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | DB-Wax | 904. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | DB-Wax | 867. | Nielsen, Larsen, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
Capillary | DB-Wax | 867. | Nielsen, Larsen, et al., 2004, 2 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
Capillary | DB-Wax | 867. | Nielsen, Larsen, et al., 2004, 3 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
Capillary | DB-Wax | 877. | Nielsen and Poll, 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 3. K/min, 240. C @ 30. min |
Capillary | DB-Wax | 899. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | HP-Wax | 891. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | FFAP | 877. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Packed | Carbowax 20M | 866. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 883. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
Capillary | Supelcowax-10 | 878. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 880. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 883. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 881. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 830. | Majcher and Jelen, 2007 | 30. m/0.25 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C |
Capillary | Supelcowax-10 | 831. | Majcher and Jelén, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60(2min)C => 5C/min => 240C |
Capillary | FFAP | 862. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 60. | 571. | Amboni, Junkes, et al., 2002 | |
Packed | Apieson L | 120. | 562. | Kurdina, Markovich, et al., 1969 | not specified, not specified |
Packed | Squalane | 125. | 545. | Cremer and Nonn, 1964 | H2, Chromosorb W (80-100 mesh); Column length: 3. m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 593. | Sivadier, Ratel, et al., 2009 | 60. m/0.32 mm/1.00 μm, 40. C @ 5. min, 3. K/min, 230. C @ 10. min |
Capillary | HP-5 | 598. | Isidorov, Purzynska, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-5 | 601. | Pino, Marbot, et al., 2006 | 30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C |
Capillary | MDN-5 | 593. | Mildner-Szkudlarz, Jelen, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 20. K/min, 280. C @ 1. min |
Capillary | Methyl Silicone | 563.31 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | DB-5 | 595. | Lee, Macku, et al., 1991 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min; Tend: 250. C |
Capillary | DB-5 | 596. | Macku and Shibamoto, 1991 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | DB-5 | 596. | Macku and Shibamoto, 1991, 2 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | OV-101 | 587. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 564. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | SP 2100 | 565. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 40. m; Column diameter: 0.20 mm; Tstart: 40. C; Tend: 200. C |
Capillary | SF-96 | 576. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 583. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | VB-5 | 582. | Karlshøj, Nielsen, et al., 2007 | 60. m/0.25 mm/1. μm, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C |
Capillary | BPX-5 | 614. | van Ruth, Floris, et al., 2006 | 60. m/0.32 mm/1. μm, He; Program: 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C |
Capillary | Methyl Silicone | 572. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | HP-5 | 591. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | HP-1 | 571. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | SE-30 | 550. | Vinogradov, 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 571. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | DB-5 | 593. | Qian and Reineccius, 2003 | 30. m/0.32 mm/1. μm; Program: 35C(4min) => 2C/min => 130C => 4C/min => 250C |
Capillary | SF-96 | 564. | Kawasaki, Matsui, et al., 1998 | Column length: 40. m; Column diameter: 0.28 mm; Program: 75C => 3C/min => 190C(25min) => 3C/min => 210C |
Capillary | HP-5 | 607. | Timón, Ventanas, et al., 1998 | 50. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) |
Capillary | SPB-1 | 568. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | DB-1 | 563. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 563. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | SPB-1 | 568. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | CP Sil 8 CB | 589. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
Capillary | SF96+Igepal | 575. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 574. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 887. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min |
Capillary | DB-Wax | 878. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 895. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 899. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 905. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 880. | Ganeko, Shoda, et al., 2008 | 4. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C |
Capillary | Supelcowax-10 | 895. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | Supelcowax-10 | 895. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | TC-Wax | 886. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
Capillary | PEG-20M | 867. | Narain, Almeida, et al., 2004 | 50. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min |
Capillary | HP-Wax | 839. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 839. | Maeztu, Sanz, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 839. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | Supelcowax-10 | 877. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 890. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | Carbowax 20M | 864. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Carbowax 20M | 875. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 891. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 861. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | DB-Wax | 866. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax 10 | 861. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | Supelcowax-10 | 878. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 880. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | HP-Innowax | 859. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
Capillary | HP-Innowax | 867. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 837. | Mattheis, Fan, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) |
Capillary | Innowax | 895. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | DB-Wax | 877. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | Carbowax 20M | 865. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 832. | Qian and Reineccius, 2003 | 60. m/0.32 mm/0.5 μm, He; Program: 35C(4min) => 2C/min => 130C => 4C/min => 250C |
Capillary | CP-Wax 52CB | 885. | Muresan, Eillebrecht, et al., 2000 | 50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) |
Capillary | Supelcowax 10 | 875. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
Capillary | Supelcowax 10 | 880. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 898. | Mattheis, Buchanan, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
Capillary | DB-Wax | 910. | Peng, Yang, et al., 1991 | Program: not specified |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups,
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Buckley and Cox, 1967
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Chemical equilibria. Part 2.-Dehydrogenation of propanol and butanol,
Trans. Faraday Soc., 1967, 63, 895-901. [all data]
Nicholson, 1960
Nicholson, G.R.,
478. The heats of combustion of butanal and heptanal,
J. Chem. Soc., 1960, 2377-2378. [all data]
Tjebbes, 1960
Tjebbes, J.,
Heats of combustion of butannal and some related compounds,
Acta Chem. Scand., 1960, 14, 180-188. [all data]
Chermin, 1961
Chermin, H.A.G.,
Thermo data for petrochemicals. Part 27: Gaseous normal aldehydes. The important thermo properties are presented for all the gaseous normal aldehydes from formaldehyde through decaldehyde,
Pet. Refin., 1961, 40, 181-184. [all data]
Buckley E., 1967
Buckley E.,
Chemical equilibria. Part 2. Dehydrogenation of propanol and butanol,
Trans. Faraday Soc., 1967, 63, 895-901. [all data]
Vasil'ev and Lebedev, 1989
Vasil'ev, V.G.; Lebedev, B.V.,
Thermodynamics of butanal in the temperature range 0-330K,
Zh. Obshch. Khim., 1989, 59(11), 2415-2420. [all data]
Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L.,
Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen.,
Not In System, 1956, 78, 56-59. [all data]
Vasil'ev and Lebedev, 1989, 2
Vasil'ev, V.G.; Lebedev, B.V.,
Thermodynamics of butanal in the temperature range 0-330 K,
Zh. Obshch. Khim., 1989, 59, 11, 2415. [all data]
Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R.,
Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases,
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Parks, Kennedy, et al., 1956, 2
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L.,
Thermal Data on Organic Compounds XXVI. Some Heat Capacity, Entropy and Free Energy Data for Seven Compounds Containing Oxygen,
J. Am. Chem. Soc., 1956, 78, 56-9. [all data]
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Anselme, M.J.; Teja, A.S.,
The critical properties of rapidly reacting substances,
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Teja and Rosenthal, 1990
Teja, A.S.; Rosenthal, D.J.,
The Critical Pressures and Temperatures of Twelve Substances Using A Low Residence Time Flow Apparatus,
AIChE Symp. Ser., 1990, 86, 279, 133-7. [all data]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
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Buckley and Cox, 1967, 2
Buckley, E.; Cox, J.D.,
Chemical equilibria. Part 2.?Dehydrogenation of propanol and butanol,
Trans. Faraday Soc., 1967, 63, 895, https://doi.org/10.1039/tf9676300895
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Verevkin, Krasnykh, et al., 2003
Verevkin, Sergey P.; Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Koutek, Bohumir; Doubsky, Jan; Heintz, Andreas,
Vapor pressures and enthalpies of vaporization of a series of the linear aliphatic aldehydes,
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Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
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Wojtasinski, 1963
Wojtasinski, Jerome G.,
Measurement of Total Pressures for Determining Liquid-Vapor Equilibrium Relations of the Binary System Isobutyraldehyde n-Butyraldehyde.,
J. Chem. Eng. Data, 1963, 8, 3, 381-385, https://doi.org/10.1021/je60018a028
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Seprakova, Paulech, et al., 1959
Seprakova, M.; Paulech, J.; Dykyj, J.,
Chem. Zvesti, 1959, 13, 5, 313. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Kuchinskaya, 1938
Kuchinskaya, K.,
Vapor pressures of pure substances,
Sbornik Trudov Opytnogo Zavoda im. Akad. S. V. Lebedeva, 1938, 27-30. [all data]
Seprakova, Paulech, et al., 1959, 2
Seprakova, M.; Paulech, J.; Dykyj, J.,
Dampfdruck der Butyraldehyde,
Chem. Zvesti, 1959, 13, 313-316. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
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Alconcel, Deyerl, et al., 2001
Alconcel, L.S.; Deyerl, H.J.; Continetti, R.E.,
Effects of alkyl substitution on the energetics of enolate anions and radicals,
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Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I.,
Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals,
J. Am. Chem. Soc., 1977, 99, 7203. [all data]
Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S.,
Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes,
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Farid and McMahon, 1978
Farid, R.; McMahon, T.B.,
Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0
. [all data]
Wiberg, Morgan, et al., 1994
Wiberg, K.B.; Morgan, K.M.; Maltz, H.,
Thermochemistry of carbonyl reactions. 6. A study of hydration equilibria,
J. Am. Chem. Soc., 1994, 116, 11067-11077. [all data]
Wiberg and Squires, 1981
Wiberg, K.B.; Squires, R.R.,
Thermochemical studies of carbonyl reactions. 2. Steric effects in acetal and ketal hydrolysis,
J. Am. Chem. Soc., 1981, 103, 4473-4478. [all data]
Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E.,
Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds,
J. Am. Chem. Soc., 1938, 60, 440-450. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S.,
Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques,
J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020
. [all data]
Ogorodnikov, Katsnel'son, et al., 1990
Ogorodnikov, A.L.; Katsnel'son, M.G.; Pinson, V.V.; Levin, Yu.V.,
Study of thermodynamic characteristics of a butyraldehyde-cyclic trimer system,
Zh. Prikl. Khim. (Leningrad), 1990, 63, 1340-1343. [all data]
Buttery, Ling, et al., 1969
Buttery, R.G.; Ling, L.C.; Guadagni, D.G.,
Volatilities Aldehydes, Ketones, and Esters in Dilute Water Solution,
J. Agric. Food Chem., 1969, 17, 385-389. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
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Desfrancois, Abdoul-Carime, et al., 1994
Desfrancois, C.; Abdoul-Carime, H.; Khelifa, N.; Schermann, J.P.,
Fork 1/r to 1/r2 Potentials: Electron Exchange between Rydberg Atoms and Polar Molecules,
Phys. Rev. Lett., 1994, 73, 18, 2436, https://doi.org/10.1103/PhysRevLett.73.2436
. [all data]
Traeger and McAdoo, 1986
Traeger, J.C.; McAdoo, D.J.,
Decomposition thresholds and associated translational energy releases for eight C4H8O+ isomers,
Int. J. Mass Spectrom. Ion Processes, 1986, 68, 35. [all data]
McAdoo and Hudson, 1983
McAdoo, D.J.; Hudson, C.E.,
The decompositions of metastable [C4H8O]+ ions and the [C4H8O]+ potential surface,
Org. Mass Spectrom., 1983, 18, 466. [all data]
El-Sherbini, Allam, et al., 1981
El-Sherbini, T.M.; Allam, S.H.; Migahed, M.D.; Dawoud, A.M.,
Mass spectrometric investigation of aliphatic aldehydes,
Z. Naturforsch. A:, 1981, 36, 1334. [all data]
Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G.,
Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]
Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J.,
The effect of alkyl substitution on ionisation potential,
J. Chem. Soc., 1971, (B), 790. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G.,
Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules,
J. Am. Chem. Soc., 1977, 99, 3980. [all data]
Kimura, Katsumata, et al., 1975
Kimura, K.; Katsumata, S.; Yamazaki, T.; Wakabayashi, H.,
UV photoelectron spectra and sum rule consideration; out-of-plane orbitals of unsaturated compounds with planar-skeleton structure,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 41. [all data]
Holmes, Terlouw, et al., 1976
Holmes, J.L.; Terlouw, J.K.; Lossing, F.P.,
The thermochemistry of C2H4O+ ions,
J. Phys. Chem., 1976, 80, 2860. [all data]
Mouvier and Hernandez, 1975
Mouvier, G.; Hernandez, R.,
Ionisation and appearance potentials of alkylketones,
Org. Mass Spectrom., 1975, 10, 958. [all data]
Fihtengolts, et al., 1969
Fihtengolts, V.S., et al.,
Atlas of UV Absorption Spectra of Substances Used in Synthetic Rubber Manufacture, 1969, 173. [all data]
Ciaznska-Halarewicz and Kowalska, 2003
Ciaznska-Halarewicz, K.; Kowalska, T.,
A study of the dependence of the Kováts retention index on the temperature of analysis on stationary phases of different polarity,
Acta Chromatogr., 2003, 13, 69-80. [all data]
Héberger, Görgényi, et al., 2002
Héberger, K.; Görgényi, M.; Kowalska, T.,
Temperature dependence of Kováts indices in gas chromatography revisited,
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Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E.,
Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
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Héberger and Görgényi, 1999
Héberger, K.; Görgényi, M.,
Principal component analysis of Kováts indices for carbonyl compounds in capillary gas chromatography,
J. Chromatogr., 1999, 845, 1-2, 21-31, https://doi.org/10.1016/S0021-9673(99)00323-4
. [all data]
Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041
. [all data]
Haken, Nguyen, et al., 1979
Haken, J.K.; Nguyen, A.; Wainwright, M.S.,
Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols,
J. Chromatogr., 1979, 179, 1, 75-85, https://doi.org/10.1016/S0021-9673(00)80658-5
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J.,
Gas chromatography of polar solutes in electron acceptor stationary phases,
Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125
. [all data]
von Kováts, 1958
von Kováts, E.,
206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone,
Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703
. [all data]
Greenberg, 1981
Greenberg, M.J.,
Characterization of meat and bone meal flavor volatiles,
J. Agric. Food Chem., 1981, 29, 6, 1276-1280, https://doi.org/10.1021/jf00108a043
. [all data]
Minyard, Tumlinson, et al., 1967
Minyard, J.P.; Tumlinson, J.H.; Thompson, A.C.; Hedin, P.A.,
Constituents of the cotton bud. The carbonyl compounds,
J. Agric. Food Chem., 1967, 15, 3, 517-524, https://doi.org/10.1021/jf60151a021
. [all data]
Umano and Shibamoto, 1987
Umano, K.; Shibamoto, T.,
Analysis of headspace volatiles from overheated beef fat,
J. Agric. Food Chem., 1987, 35, 1, 14-18, https://doi.org/10.1021/jf00073a004
. [all data]
Kevei and Kozma, 1976
Kevei, E.; Kozma, E.,
Gaschromatographische Untersuchungsmethoden zur Aromaprüfung in gekochtem Schweinefleisch (M. semimembranosus),
Nahrung, 1976, 20, 3, 243-252, https://doi.org/10.1002/food.19760200303
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Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
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Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002
. [all data]
Insausti, Goñi, et al., 2005
Insausti, K.; Goñi, V.; Petri, E.; Gorraiz, C.; Beriain, M.J.,
Effect of weight at slaughter on the volatile compounds of cooked beef from Spanish cattle breeds,
Meat Sci., 2005, 70, 1, 83-90, https://doi.org/10.1016/j.meatsci.2004.12.003
. [all data]
Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003
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Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages,
Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
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Bartelt, 1997
Bartelt, R.J.,
Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles,
Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n
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Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii,
J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212
. [all data]
Kaiser and Siegl, 1994
Kaiser, E.W.; Siegl, W.O.,
High resolution gas chromatographic determination of the atmospheric reactivity of engine-out hydrocarbon emissions from a spark-ignited engine,
J. Hi. Res. Chromatogr., 1994, 17, 4, 264-270, https://doi.org/10.1002/jhrc.1240170414
. [all data]
Zhang, Dorjpalam, et al., 1992
Zhang, Y.; Dorjpalam, B.; Ho, C.-T.,
Contribution of peptides to volatile formation in the Maillard reaction of casein hydrolysate with glucose,
J. Agric. Food Chem., 1992, 40, 12, 2467-2471, https://doi.org/10.1021/jf00024a026
. [all data]
Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147
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Majcher and Jelén, 2005
Majcher, M.A.; Jelén, H.H.,
Identification of potent odorants formed during the preparation of extruded potato snacks,
J. Agric. Food Chem., 2005, 53, 16, 6432-6437, https://doi.org/10.1021/jf050412x
. [all data]
Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u
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Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W.,
Character impact odorants of the apple cultivars Elstar and Cox Orange,
Nahrung/Food, 2002, 46, 3, 187-193, https://doi.org/10.1002/1521-3803(20020501)46:3<187::AID-FOOD187>3.0.CO;2-5
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Lopez-Galilea I., Fournier N., et al., 2006
Lopez-Galilea I.; Fournier N.; Cid C.; Guichard E.,
Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure,
J. Agric. Food Chem., 2006, 54, 22, 8560-8566, https://doi.org/10.1021/jf061178t
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Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F.,
Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826
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Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
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Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O.,
Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses,
Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007
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Nielsen, Larsen, et al., 2004
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Formation of aroma compounds during long-term frozen storage of unblanched leek (Allium ampeloprasum Var. Bulga) as affected by packaging atmosphere and slice thickness,
J. Agric. Food Chem., 2004, 52, 5, 1234-1240, https://doi.org/10.1021/jf0306183
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Nielsen, Larsen, et al., 2004, 2
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Formation of volatile compounds in model experiments with crude leek (Allium ampeloprasum Var. Lancelot) enzyme extract and linoleic acid or linolenic acid,
J. Agric. Food Chem., 2004, 52, 8, 2315-2321, https://doi.org/10.1021/jf030600s
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Nielsen, Larsen, et al., 2004, 3
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Impact of blanching and packaging atmosphere on the formation of aroma compounds during long-term frozen storage of leek (Allium ampeloprasum Var. Bulga) slices,
J. Agric. Food Chem., 2004, 52, 15, 4844-4852, https://doi.org/10.1021/jf049623c
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Nielsen and Poll, 2004
Nielsen, G.S.; Poll, L.,
Determination of odor active aroma compounds in freshly cut leek (Allium ampeloprasum Var. Bulga) and in long-term stored frozen unblanched and blanched leek slices by gas chromatography olfactometry analysis,
J. Agric. Food Chem., 2004, 52, 6, 1642-1646, https://doi.org/10.1021/jf030682k
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Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
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Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
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van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
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Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A.,
Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages,
Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019
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Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
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Yasuhara, 1987
Yasuhara, A.,
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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