Propanal
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChIKey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
- CAS Registry Number: 123-38-6
- 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: Propionaldehyde; Methylacetaldehyde; Propaldehyde; Propional; Propionic aldehyde; Propylaldehyde; Propylic aldehyde; C2H5CHO; n-Propionaldehyde; Propanalaldehyde; n-Propanal; Aldehyde propionique; Propanaldehyde; NCI-C61029; UN 1275; 1-Propanone; 1-Propanal; Proprionaldehyde; NSC 6493
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References, Notes
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
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 322. ± 2. | K | AVG | N/A | Average of 38 out of 40 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 180. ± 20. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 171.32 | K | N/A | Vasil'ev and Petrov, 1984 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 171.15 | K | N/A | Korkhov and Vasil'ev, 1977 | Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 171.32 | K | N/A | Korkhov and Vasil'ev, 1977 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 600. ± 200. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 52.60 | bar | N/A | Gude and Teja, 1994 | Uncertainty assigned by TRC = 0.60 bar; by the flow method; TRC |
Pc | 52.70 | bar | N/A | Gude and Teja, 1994 | Uncertainty assigned by TRC = 1.00 bar; by sealed ampule; TRC |
Pc | 52.70 | bar | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 1.00 bar; TRC |
Pc | 68.6983 | bar | N/A | Bougard and Jadot, 1977 | source of data not clear; TRC |
Pc | 68.6984 | bar | N/A | Svoboda, Vesely, et al., 1977 | Uncertainty assigned by TRC = 2.026 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.91 | mol/l | N/A | Anselme and Teja, 1990 | Uncertainty assigned by TRC = 0.09 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 29.7 ± 0.3 | kJ/mol | AVG | N/A | Average of 11 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
28.31 | 321.1 | N/A | Majer and Svoboda, 1985 | |
28.320 | 321.08 | N/A | Korkhov and Vasil'ev, 1977, 2 | DH |
30.3 | 305. | A | Stephenson and Malanowski, 1987 | Based on data from 290. to 322. K. See also Dykyj, 1970.; AC |
31.9 | 265. | EB | Stephenson and Malanowski, 1987 | Based on data from 250. to 330. K. See also Smith and Bonner, 1951.; AC |
31.5 | 278. | N/A | Kim and Kim, 1977 | Based on data from 263. to 373. K.; AC |
30.5 | 301. | N/A | Ambrose and Sprake, 1974 | Based on data from 286. to 321. K.; AC |
28.3 | 321. | N/A | Counsell and Lee, 1972 | AC |
29.4 | 303. | N/A | Counsell and Lee, 1972 | AC |
30.3 | 286. | N/A | Counsell and Lee, 1972 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
286. to 321. | 44.48 | 0.2676 | 496.2 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.590 | 171.32 | Korkhov and Vasil'ev, 1977, 2 | DH |
8.59 | 171.3 | Domalski and Hearing, 1996 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, Gas Chromatography, References, Notes
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 C3H6O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.96 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 786.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 754.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Reference | Comment |
---|---|---|
0.000999 ± 0.000087 | Hammer, Diri, et al., 2003 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.96 | PI | Traeger, 1985 | LBLHLM |
9.96 | PI | Traeger, 1985, 2 | LBLHLM |
9.82 ± 0.14 | EI | El-Sherbini, Allam, et al., 1981 | LLK |
9.95 | PI | Staley, Wieting, et al., 1977 | LLK |
9.953 ± 0.005 | PE | Hernandez, Masclet, et al., 1977 | LLK |
9.99 | PE | Tam, Yee, et al., 1974 | LLK |
9.97 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.94 | PE | Dewar and Worley, 1969 | RDSH |
9.98 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.96 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
9.85 | PE | Kimura, Katsumata, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHO+ | 11.79 | C2H5 | PI | Traeger, 1985 | LBLHLM |
C2H3O+ | 12.3 ± 0.05 | CH3 | EI | Burgers and Holmes, 1982 | LBLHLM |
C2H3O+ | 10.79 | CH3 | PI | Staley, Wieting, et al., 1977 | LLK |
C3H5O+ | 10.18 | H | PI | Traeger, 1985, 2 | LBLHLM |
De-protonation reactions
C3H5O- + =
By formula: C3H5O- + H+ = C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1528. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1531. ± 10. | kJ/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1501. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1504. ± 8.4 | kJ/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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 | HP-1 | 110. | 473.63 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 20. | 473.7 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 30. | 473.5 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 40. | 473.3 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 50. | 472.71 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 60. | 473.1 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 70. | 472.74 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 90. | 473.04 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 110. | 474. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 50. | 473. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 70. | 473. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 90. | 473. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Packed | SE-30 | 100. | 480. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Squalane | 50. | 443. | Becerra, Sánchez, et al., 1982 | N2, Chromosorb W-AM; Column length: 6. m |
Packed | SE-30 | 150. | 479. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
Packed | Apiezon L | 120. | 456. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 460. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 70. | 455. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 50. | 437. | Mira and Sanchez, 1970 | Chromosorb G |
Packed | Apiezon L | 100. | 461. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 150. | 470. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | DC-200 | 100. | 475. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Squalane | 100. | 437. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 100. | 460. | Rohrschneider, 1966 | Column length: 5. m |
Packed | SE-30 | 80. | 460. | Viani, Müggler-Chavan, et al., 1965 | He, Chromosorb P; Column length: 6. m |
Packed | Apiezon L | 130. | 451. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 455. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-Innowax | 110. | 816.5 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 50. | 808.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 70. | 810.4 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 90. | 812.9 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Packed | Carbowax 20M | 100. | 748. | Kevei and Kozma, 1976 | Chromosorb |
Packed | Carbowax 20M | 100. | 798. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 784. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Packed | PEG-20M | 784. | Galt and MacLeod, 1984 | N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 472. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 506. | 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) |
Packed | SE-30 | 468. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 762. | 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 | 762. | 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 | 762. | 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 | 807. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | HP-Wax | 801. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | FFAP | 800. | 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 |
Capillary | DB-Wax | 784. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 801. | 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 | 801. | 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 | 801. | 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 | 800. | 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 | FFAP | 784. | 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. | 473. | Amboni, Junkes, et al., 2002 | |
Packed | Squalane | 125. | 452. | 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 | DB-1 | 480. | Buttery, Ling, et al., 1997 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | RTX-5 | 450. | Milo and Grosch, 1995 | 30. m/0.52 mm/1.5 μm, He, 6. K/min; Tstart: 5. C; Tend: 230. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 511. | 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 | 498. | Karlshøj, Nielsen, et al., 2007 | 60. m/0.25 mm/1. μm, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C |
Capillary | HP-1 | 473. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | SPB-1 | 464. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 479. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | SPB-1 | 464. | 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 | 500. | 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 | OV-101 | 461. | Shibamoto, 1987 | Program: not specified |
Capillary | SF96+Igepal | 500. | 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. | 480. | 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 | 823. | 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 | 783. | Ganeko, Shoda, et al., 2008 | 4. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C |
Capillary | ZB-Wax | 808. | Marin, Pozrl, et al., 2008 | 60. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min |
Capillary | DB-Wax | 784. | Rizzolo, Cambiaghi, et al., 2005 | 60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C |
Capillary | Supelcowax-10 | 826. | 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 | 827. | 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 | 828. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | DB-Wax | 798. | Chida, Sone, et al., 2004 | 60. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min |
Capillary | TC-Wax | 797. | 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 | Supelcowax-10 | 800. | 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 | 790. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 799. | Schlüter, Steinhart, et al., 1999 | 60. m/0.32 mm/0.25 μm, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 790. | 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 | 788. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 816. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 747. | 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 | HP-Innowax | 804. | Cajka, Riddellova, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min) |
Capillary | HP-Innowax | 780. | Narain, Galvao, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min) |
Capillary | HP-Innowax | 763. | 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 | DB-Wax | 769. | Gyawalia, Seo, et al., 2006 | 60. m/0.2 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C |
Capillary | Innowax | 809. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | DB-Wax | 816. | 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 | DB-Wax | 790. | 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 | 782. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 784. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 795. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M.,
Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]
Korkhov and Vasil'ev, 1977
Korkhov, A.D.; Vasil'ev, I.A.,
Heat capacity and thermodynamic functions of propionaldehyde at low temperatures.,
Termodin. Org. Soedin., 1977, No. 6, 34. [all data]
Gude and Teja, 1994
Gude, M.T.; Teja, A.S.,
The Critical Properties of Several n-Alkanals, Tetralin and NMP,
Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Series No. 2, p.174-83. [all data]
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]
Bougard and Jadot, 1977
Bougard, J.; Jadot, R.,
Isothermal Vapor-Liquid Equilibria for the System 1,2-Dichloropropane- Propanal,
J. Chem. Eng. Data, 1977, 22, 88. [all data]
Svoboda, Vesely, et al., 1977
Svoboda, V.; Vesely, F.; Holub, R.; Pick, J.,
Heats of vaporization of alkyl acetates and propionates,
Collect. Czech. Chem. Commun., 1977, 42, 943-51. [all data]
Anselme and Teja, 1990
Anselme, M.J.; Teja, A.S.,
The critical properties of rapidly reacting substances,
AIChE Symp. Ser., 1990, 86, 279, 128-32. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Korkhov and Vasil'ev, 1977, 2
Korkhov, A.D.; Vasil'ev, I.A.,
Heat capacity and thermodynamic functions of propanal at low temperatures,
Termodin. Org. Soedin., 1977, (6), 34-37. [all data]
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
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Smith and Bonner, 1951
Smith, Thomas E.; Bonner, Robert F.,
Acetaldehyde, Propionaldehyde, and n-Butyraldehyde,
Ind. Eng. Chem., 1951, 43, 5, 1169-1173, https://doi.org/10.1021/ie50497a049
. [all data]
Kim and Kim, 1977
Kim, B.C.; Kim, D.H.,
Hwahak Kwa Hwahak Kongop, 1977, 20, 232. [all data]
Ambrose and Sprake, 1974
Ambrose, D.; Sprake, C.H.S.,
Thermodynamic properties of organic oxygen compounds 32. Vapour pressure and second virial coefficient of propanal,
The Journal of Chemical Thermodynamics, 1974, 6, 5, 453-456, https://doi.org/10.1016/0021-9614(74)90006-8
. [all data]
Counsell and Lee, 1972
Counsell, J.F.; Lee, D.A.,
Thermodynamic properties of organic oxygen compounds 30. Vapour heat capacity and enthalpy of vaporization of propanal,
The Journal of Chemical Thermodynamics, 1972, 4, 6, 915-917, https://doi.org/10.1016/0021-9614(72)90013-4
. [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,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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
. [all data]
Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N.,
Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules,
J. Chem. Phys., 2003, 119, 7, 3650-3660, https://doi.org/10.1063/1.1590959
. [all data]
Traeger, 1985
Traeger, J.C.,
Heat of formation for the formyl cation by photoionization mass spectrometry,
Int. J. Mass Spectrom. Ion Processes, 1985, 66, 271. [all data]
Traeger, 1985, 2
Traeger, J.C.,
Heat of formation for the propanoyl cation by photoionization mass spectrometry,
Org. Mass Spectrom., 1985, 20, 223. [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]
Staley, Wieting, et al., 1977
Staley, R.H.; Wieting, R.D.; Beauchamp, J.L.,
Carbenium ion stabilities in the gas phase and solution. An ion cyclotron resonance study of bromide transfer reactions involving alkali ions, alkyl carbenium ions, acyl cations and cyclic halonium ions,
J. Am. Chem. Soc., 1977, 99, 5964. [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]
Tam, Yee, et al., 1974
Tam, W.-C.; Yee, D.; Brion, C.E.,
Photoelectron spectra of some aldehydes and ketones,
J. Electron Spectrosc. Relat. Phenom., 1974, 4, 77. [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]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [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]
Burgers and Holmes, 1982
Burgers, P.C.; Holmes, J.L.,
Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks,
Org. Mass Spectrom., 1982, 17, 123. [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]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Héberger, Görgényi, et al., 2002
Héberger, K.; Görgényi, M.; Kowalska, T.,
Temperature dependence of Kováts indices in gas chromatography revisited,
J. Chromatogr. A, 2002, 973, 1-2, 135-142, https://doi.org/10.1016/S0021-9673(02)01198-6
. [all data]
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]
Becerra, Sánchez, et al., 1982
Becerra, M.R.; Sánchez, E.F.; Domínguez, J.A.G.; Muñoz, J.G.; Molera, M.J.,
The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal,
J. Chromatogr. Sci., 1982, 20, 8, 363-366, https://doi.org/10.1093/chromsci/20.8.363
. [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]
Mira and Sanchez, 1970
Mira, J.M.; Sanchez, L.G.,
Polarity of the Gas Chromatographic Stationary Phases and Retention Indices of Aliphatic Esters, Ketones and Alcohols,
Anal. Chim. Acta., 1970, 50, 2, 315-321, https://doi.org/10.1016/0003-2670(70)80071-X
. [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]
Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5
. [all data]
Viani, Müggler-Chavan, et al., 1965
Viani, R.; Müggler-Chavan, F.; Reymond, D.; Egli, R.H.,
196. Sur la composition de l'arôme de café,
Helv. Chim. Acta, 1965, 48, 195-196, 1809-1815, https://doi.org/10.1002/hlca.19650480743
. [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]
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
. [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]
Galt and MacLeod, 1984
Galt, A.M.; MacLeod, G.,
Headspace sampling of cooked beef aroma using Tenax GC,
J. Agric. Food Chem., 1984, 32, 1, 59-64, https://doi.org/10.1021/jf00121a016
. [all data]
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
. [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
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
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
. [all data]
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
. [all data]
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
. [all data]
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
. [all data]
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
. [all data]
Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
. [all data]
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
. [all data]
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
. [all data]
Yasuhara, 1987
Yasuhara, A.,
Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry,
J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X
. [all data]
Amboni, Junkes, et al., 2002
Amboni, R.D.DeM.C.; Junkes, B. daS.; Yunes, R.A.; Heinzen, V.E.F.,
Quantitative structure-property relationships study of chromatographic retention indices and normal boiling points for oxo compounds using the semi-empirical topological method,
J. Mol. Struct. (Theochem), 2002, 586, 1-3, 71-80, https://doi.org/10.1016/S0166-1280(02)00062-3
. [all data]
Cremer and Nonn, 1964
Cremer, E.; Nonn, H.,
Kennzahlen zur Identifizierung chromatographisch getrennter Komponenten,
Monatsh. Chem., 1964, 3, 3, 910-921, https://doi.org/10.1007/BF00908804
. [all data]
Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
. [all data]
Milo and Grosch, 1995
Milo, C.; Grosch, W.,
Detection of odor defects in boiled cod and trout by gas chromatography-olfactometry of headspace samples,
J. Agric. Food Chem., 1995, 43, 2, 459-462, https://doi.org/10.1021/jf00050a038
. [all data]
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Karlshøj, Nielsen, et al., 2007
Karlshøj, K.; Nielsen, P.V.; Larsen, T.O.,
Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis,
J. Agric. Food Chem., 2007, 55, 11, 4289-4298, https://doi.org/10.1021/jf070134x
. [all data]
Junkes, Amboni, et al., 2004
Junkes, B.S.; Amboni, R.D.M.C.; Yunes, R.A.; Heinzen, V.E.F.,
Application of the semi-empirical topological index in quantitative structure-chromatographic retention relationship (QSRR) studies of aliphatic ketones and aldehydes on stationary phases of different polarity,
J. Braz. Chem. Soc., 2004, 15, 2, 183-189, https://doi.org/10.1590/S0103-50532004000200005
. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Weller and Wolf, 1989
Weller, J.-P.; Wolf, M.,
Massenspektroskopie und Headspace-GC,
Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R.,
Volatile constituents of Amaranthus retroflexus L.,
J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013
. [all data]
Ganeko, Shoda, et al., 2008
Ganeko, N.; Shoda, M.; Hirohara, I.; Bhadra, A.; Ishida, T.; Matsuda, H.; Takamura, H.; Matoba, T.,
Analysis of volatile flavor compounds of sardine (Sardinops melanostica) by solid phase microextraction,
J. Food Sci., 2008, 73, 1, s83-s88, https://doi.org/10.1111/j.1750-3841.2007.00608.x
. [all data]
Marin, Pozrl, et al., 2008
Marin, K.; Pozrl, T.; Zlatic, E.; Plestenjak, A.,
A new aroma index to determine the aroma quality of roasted and ground coffee during storage,
Food Technol. Biotechnol., 2008, 46, 4, 442-447. [all data]
Rizzolo, Cambiaghi, et al., 2005
Rizzolo, A.; Cambiaghi, P.; Grassi, M.; Zerbini, P.E.,
Influence of 1-Methylcyclopropene and Storage Atmosphere on Changes in Volatile Compounds and Fruit Quality of Conference Pears,
J. Agric. Food Chem., 2005, 53, 25, 9781-9789, https://doi.org/10.1021/jf051339d
. [all data]
Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l
. [all data]
Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H.,
Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system,
J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p
. [all data]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
Girard and Durance, 2000
Girard, B.; Durance, T.,
Headspace volatiles of sockeye and pink salmon as affected by retort process,
Food Chem. Toxicol., 2000, 65, 1, 34-39. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M.,
Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed,
J. Agric. Food Chem., 1999, 47, 12, 5146-5150, https://doi.org/10.1021/jf9902604
. [all data]
Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T.,
Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide,
J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Cajka, Riddellova, et al., 2010
Cajka, T.; Riddellova, K.; Klimankova, E.; Carna, M.; Pudil, F.; Hajslova, J.,
Traceability of olive oil based on volatiles pattern and multivariante analysis,
Food Chem., 2010, 121, 1, 282-289, https://doi.org/10.1016/j.foodchem.2009.12.011
. [all data]
Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F.,
Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit,
BioEng. Campinas, 2007, 1, 1, 25-31. [all data]
Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G.,
Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax,
Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040
. [all data]
Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S.,
Effect of γ-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.),
Radiat. Phys. Chem., 2006, 75, 2, 322-328, https://doi.org/10.1016/j.radphyschem.2005.07.001
. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.