Cyclohexanone
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
- CAS Registry Number: 108-94-1
- 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: Anon; Anone; Hexanon; Hytrol O; Nadone; Pimelic ketone; Pimelin ketone; Sextone; Ketohexamethylene; Cicloesanone; Cyclohexanon; Cykloheksanon; NCI-C55005; Rcra waste number U057; UN 1915; Cyclohexyl ketone; NSC 5711
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -231.1 ± 0.88 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
ΔfH°gas | -225.7 | kJ/mol | Eqk | Kabo, Yursha, et al., 1988 | ALS |
ΔfH°gas | -227.7 ± 1.9 | kJ/mol | Ccb | Wolf, 1972 | ALS |
ΔfH°gas | -226.3 | kJ/mol | Ccb | Sellers and Sunner, 1962 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 335.53 | J/mol*K | N/A | Kabo G.J., 1988 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
121.06 | 298.15 | Kabo G.J., 1988 | Selected thermodynamic functions are in better agreement with experimental values of S(298.15 K) and Cp(T) than statistical values calculated by [ Thermodynamics Research Center, 1997, Andreevskii D.N., 1976]. Maximum discrepancies with functions given in [ Thermodynamics Research Center, 1997] amount to 2.5 and 5.0 J/mol*K for S(T) and Cp(T), respectively. Discrepancies with data [ Andreevskii D.N., 1976] reach 11 and 8 J/mol*K for S(T) and Cp(T), respectively.; GT |
121.89 | 300. | ||
161.88 | 400. | ||
196.39 | 500. | ||
225.24 | 600. | ||
249.27 | 700. | ||
269.47 | 800. | ||
286.51 | 900. | ||
301.06 | 1000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
155.20 | 385. | Shvaro O.V., 1987 | The experimental values of Cp(T) obtained by [ Vilcu R., 1975] seem to be not enough reliable in view of the comparison of experimental heat capacities of some alcohols and ketones measured by these authors (see [ Kabo G.J., 1995]).; GT |
161.07 | 400. | ||
168.98 | 420. | ||
175.81 | 440. | ||
183.65 | 460. | ||
190.18 | 480. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
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 | -276.1 ± 0.84 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
ΔfH°liquid | -272.6 ± 1.8 | kJ/mol | Ccb | Wolf, 1972 | ALS |
ΔfH°liquid | -254. ± 2. | kJ/mol | Ccb | Rabinovoch, Tel'noy, et al., 1962 | ALS |
ΔfH°liquid | -271.4 | kJ/mol | Ccb | Sellers and Sunner, 1962 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3517.6 ± 1.7 | kJ/mol | Ccb | Wolf, 1972 | Corresponding ΔfHºliquid = -272.58 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3536. ± 2. | kJ/mol | Ccb | Rabinovoch, Tel'noy, et al., 1962 | Corresponding ΔfHºliquid = -254. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3518.9 ± 1.0 | kJ/mol | Ccb | Sellers and Sunner, 1962 | Corresponding ΔfHºliquid = -271.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3499. ± 0.8 | kJ/mol | Ccb | Skuratov, Kozina, et al., 1957 | At 20C; Corresponding ΔfHºliquid = -291. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 229.03 | J/mol*K | N/A | Nakamura, Suga, et al., 1980 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
177.20 | 300. | Nakamura, Suga, et al., 1980 | T = 13 to 300 K. Unsmoothed experimental datum for Cp at 296.40 K is 175.96 J/mol*K.; DH |
200.4 | 304.2 | Phillip, 1939 | DH |
177.8 | 290. | Herz and Bloch, 1924 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 428. ± 2. | K | AVG | N/A | Average of 21 out of 23 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 243. ± 10. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 245.21 | K | N/A | Nakamura, Suga, et al., 1980, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 242.4 | K | N/A | Wuerflinger and Kreutzenbeck, 1978 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 664.3 | K | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 3. K; TRC |
Tc | 653. | K | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 3. K; TRC |
Tc | 629.15 | K | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 46.00 | bar | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 1.00 bar; TRC |
Pc | 40.00 | bar | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 0.50 bar; TRC |
Pc | 38.5035 | bar | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 2.0265 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 44. ± 4. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
320.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
45.130 | 428.8 | N/A | Svoboda, Kubes, et al., 1992 | Value corrected to 298.15 K.; DH |
43.1 | 358. | EB | Teodorescu, Barhala, et al., 2006 | Based on data from 343. to 427. K.; AC |
44.0 | 333. | N/A | Aucejo, Monton, et al., 1993 | Based on data from 318. to 428. K.; AC |
44.4 ± 0.1 | 308. | C | Svoboda, Kubes, et al., 1992 | AC |
44.0 ± 0.1 | 313. | C | Svoboda, Kubes, et al., 1992 | AC |
43.4 ± 0.1 | 323. | C | Svoboda, Kubes, et al., 1992 | AC |
43.1 ± 0.1 | 328. | C | Svoboda, Kubes, et al., 1992 | AC |
42.2 ± 0.1 | 338. | C | Svoboda, Kubes, et al., 1992 | AC |
41.8 ± 0.1 | 343. | C | Svoboda, Kubes, et al., 1992 | AC |
41.4 ± 0.1 | 348. | C | Svoboda, Kubes, et al., 1992 | AC |
42.2 | 360. | EB | Ambrose and Ghiassee, 1987, 2 | Based on data from 345. to 458. K.; AC |
41.5 | 377. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 362. to 439. K. See also Meyer and Hotz, 1973.; AC |
40.4 | 410. | N/A | Castellari, Francesconi, et al., 1984 | Based on data from 395. to 426. K.; AC |
40.3 | 286. | N/A | Radulescu and Alexa, 1938 | Based on data from 273. to 298. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
362.78 to 438.92 | 4.1033 ± 0.00099 | 1495.51 ± 0.67 | -63.598 ± 0.075 | Meyer and Hotz, 1973 |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
49.3 | 254. | Nitta and Seki, 1948 | Based on data from 243. to 265. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.33 | 245.2 | Nakamura, Suga, et al., 1980 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.5 | 221. | Gonthier-Vassal and Szwarc, 1998 | CAL |
5.2 | 242.6 |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.22 | 220.8 | Nakamura, Suga, et al., 1980, 2 | CAL |
5.42 | 245.2 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.6596 | 220.83 | crystaline, II | crystaline, I | Nakamura, Suga, et al., 1980 | DH |
1.3276 | 245.21 | crystaline, I | liquid | Nakamura, Suga, et al., 1980 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
39.22 | 220.83 | crystaline, II | crystaline, I | Nakamura, Suga, et al., 1980 | DH |
5.414 | 245.21 | crystaline, I | liquid | Nakamura, Suga, et al., 1980 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
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
C6H9O- + =
By formula: C6H9O- + H+ = C6H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1533. ± 8.4 | kJ/mol | D-EA | Brinkman, Berger, et al., 1993 | gas phase; B |
ΔrH° | 1531. ± 9.6 | kJ/mol | D-EA | Zimmerman, Jackson, et al., 1978 | gas phase; B |
ΔrH° | 1544. ± 18. | kJ/mol | G+TS | Brickhouse and Squires, 1988 | gas phase; Between acetone, Me2C=NOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1501. ± 9.6 | kJ/mol | H-TS | Brinkman, Berger, et al., 1993 | gas phase; B |
ΔrG° | 1498. ± 11. | kJ/mol | H-TS | Zimmerman, Jackson, et al., 1978 | gas phase; B |
ΔrG° | 1511. ± 17. | kJ/mol | IMRB | Brickhouse and Squires, 1988 | gas phase; Between acetone, Me2C=NOH; B |
By formula: C6H10O + H2 = C6H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -75.86 ± 0.50 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -63.51 ± 0.63 | kJ/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -64.5 ± 0.3 kJ/mol; At 355 K; ALS |
By formula: C6H12O = C6H10O + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.4 ± 2.3 | kJ/mol | Eqk | Kabo, Yursha, et al., 1988 | gas phase; Dehydrogenation; ALS |
By formula: H2O + C7H12O = C6H10O + CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.63 ± 0.69 | kJ/mol | Eqk | Hine and Arata, 1976 | liquid phase; ALS |
By formula: H2O + C8H16O2 = C6H10O + 2CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.9 ± 0.1 | kJ/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase; ALS |
By formula: C6H12O + C3H6O = C6H10O + C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.9 ± 1.9 | kJ/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 503 K; ALS |
By formula: C6H10O + 2CH4O = H2O + C8H16O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -54. ± 1. | kJ/mol | Cm | Wiberg, Morgan, et al., 1994 | gas phase; ALS |
By formula: C6H10O + C5H10O = C6H12O + C5H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -11.6 ± 1.7 | kJ/mol | Eqk | Fedoseenko, Yursha, et al., 1984 | gas phase; ALS |
By formula: C6H10O + C3H8O = C6H12O + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.9 ± 1.9 | kJ/mol | Eqk | Kabo, Yursha, et al., 1988 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 C6H10O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.16 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 841.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 811.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.0033 | EFD | Desfrancois, Abdoul-Carime, et al., 1994 | EA: 3.3 meV. Dipole-bound state.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.18 | PE | Loudet, Grimaud, et al., 1976 | LLK |
9.5 ± 0.2 | EI | Fortin, Forest, et al., 1973 | LLK |
9.16 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.14 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.14 ± 0.03 | PI | Vilesov, 1960 | RDSH |
9.29 | PE | Spanka and Rademacher, 1986 | Vertical value; LBLHLM |
9.18 | PE | Kovac and Klasinc, 1978 | Vertical value; LLK |
9.28 | PE | Hentrich, Gunkel, et al., 1974 | Vertical value; LLK |
9.14 ± 0.02 | PE | Chadwick, Frost, et al., 1971 | Vertical value; LLK |
De-protonation reactions
C6H9O- + =
By formula: C6H9O- + H+ = C6H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1533. ± 8.4 | kJ/mol | D-EA | Brinkman, Berger, et al., 1993 | gas phase; B |
ΔrH° | 1531. ± 9.6 | kJ/mol | D-EA | Zimmerman, Jackson, et al., 1978 | gas phase; B |
ΔrH° | 1544. ± 18. | kJ/mol | G+TS | Brickhouse and Squires, 1988 | gas phase; Between acetone, Me2C=NOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1501. ± 9.6 | kJ/mol | H-TS | Brinkman, Berger, et al., 1993 | gas phase; B |
ΔrG° | 1498. ± 11. | kJ/mol | H-TS | Zimmerman, Jackson, et al., 1978 | gas phase; B |
ΔrG° | 1511. ± 17. | kJ/mol | IMRB | Brickhouse and Squires, 1988 | gas phase; Between acetone, Me2C=NOH; B |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114118 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 |
---|---|---|---|---|---|
Packed | C78, Branched paraffin | 130. | 854.1 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | SE-30 | 100. | 881. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 110. | 883. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 80. | 874. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 90. | 877. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Packed | C78, Branched paraffin | 130. | 853.9 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | SPB-1 | 60. | 861. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | Apolane | 130. | 857. | Dutoit, 1991 | Column length: 3.7 m |
Packed | SE-30 | 150. | 895. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | OV-1 | 120. | 883. | Valko, Papp, et al., 1984 | Gas Chrom Q; Column length: 2. m |
Packed | Apiezon L | 70. | 851. | Jaworski, 1982 | Column length: 1.8 m |
Packed | Apiezon L | 120. | 884. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 130. | 886. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 100. | 855.1 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Apiezon L | 130. | 888. | Paris and Alexandre, 1972 | Chromosorb W AW |
Packed | Apiezon L | 100. | 867. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 130. | 886. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 869. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | OV-101 | 872. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 874. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 875. | Raina, Srivastava, et al., 2003 | 25. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Supelcowax-10 | 60. | 1301. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | Carbowax 20M | 75. | 1310. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 1287. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 1282. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 1280. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1281. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 895. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-1 | 851.7 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | DB-5 | 896.8 | 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 | DB-5 | 894. | Dallüge, van Stee, et al., 2002 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-5 | 894. | Moio L., Rillo L., et al., 1996 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-5 | 891. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Packed | SE-30 | 881. | Buchman, Cao, et al., 1984 | He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 896. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Packed | SE-30 | 881. | 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 | Supelcowax-10 | 1291. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 1291. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | AT-Wax | 1275. | Pino and Marbot, 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | DB-Wax | 1311. | Le Guen, Prost, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min |
Capillary | CP-Wax 52CB | 1280. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 1280. | Chevance and Farmer, 1999, 2 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 1315. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1314. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1314. | Shimoda, Shigematsu, et al., 1995, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | Supelcowax-10 | 1291. | Vejaphan, Hsieh, et al., 1988 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 1296. | Vejaphan, Hsieh, et al., 1988 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Packed | Carbowax 20M | 1333. | Buchman, Cao, et al., 1984 | He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1282. | 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) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane | 105. | 876. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 866. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 871. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Methyl Silicone | 100. | 874. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 882. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 890. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 867. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | DB-1 | 60. | 879. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Capillary | OV-101 | 102. | 862. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 106. | 864. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 110. | 865. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 114. | 866. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 94. | 860. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 98. | 862. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Capillary | OV-101 | 98. | 862. | Wang, Deng, et al., 1992 | Column length: 23. m; Column diameter: 0.50 mm |
Packed | DC-400 | 150. | 894. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 896. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 897. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | OV-101 | 864. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | HP-5 | 903. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C |
Capillary | ZB-1 | 854. | Harvey and Wenzel, 2009 | 15. m/0.25 mm/0.10 μm, Helium, 4. K/min, 185. C @ 15. min; Tstart: 35. C |
Capillary | ZB-1 | 858. | Harvey and Wenzel, 2009 | 15. m/0.25 mm/0.10 μm, Helium, 4. K/min, 185. C @ 15. min; Tstart: 35. C |
Capillary | ZB-1 | 867. | Harvey and Wenzel, 2009 | 15. m/0.25 mm/0.10 μm, Helium, 4. K/min, 185. C @ 15. min; Tstart: 35. C |
Capillary | BP-1 | 871. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-1 | 858. | Lu, Yu, et al., 1997 | 60. m/0.32 mm/1. μm, He, 40. C @ 2. min, 2. K/min, 280. C @ 40. min |
Capillary | DB-5 | 894. | Moio, Dekimpe, et al., 1993 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-1 | 854. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | OV-101 | 858. | Stern, Flath, et al., 1985 | 50. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 MS | 875. | Zhu, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) |
Capillary | DB-5 MS | 894. | Zhu, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) |
Capillary | BP-5 | 895. | Helsper, Bücking, et al., 2006 | 30. m/0.25 mm/1. μm, He; Program: 40C(2min) => 4C/min => 150C => 8C/min => 250C (15min) |
Capillary | Methyl Silicone | 871. | 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 | SE-30 | 875. | Vinogradov, 2004 | Program: not specified |
Capillary | BPX-5 | 898. | Machiels, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | SPB-1 | 878. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 862.0 | Chang, Giang, et al., 1993 | 30. m/0.53 mm/1.5 μm; Program: 35C (6min) => 3C/min => 100C => 6C/min => 250C => 30C => 260C (2.5min) |
Capillary | SPB-1 | 878. | 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 | SPB-1 | 875. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | SE-30 | 857. | Ibrahim and Suffet, 1988 | N2; Column length: 60. m; Column diameter: 0.32 mm; Program: 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min) |
Capillary | OV-101 | 875. | Shibamoto, 1987 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 900. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 855. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 1302. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1281. | Lin, Cai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 3. K/min, 230. C @ 20. min |
Capillary | DB-Wax | 1281. | Hayata, Sakamoto, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1320. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | DB-Wax | 1285. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | TC-Wax | 1299. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Capillary | DB-Wax | 1273. | Chung, Eiserich, et al., 1993 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1285. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1311. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1314. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Carbowax 20M | 1306. | Vinogradov, 2004 | Program: not specified |
Capillary | Supelcowax-10 | 1306. | Jung, Kim, et al., 2001 | Program: not specified |
Capillary | DB-Wax | 1289. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 1306. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 20M | 1275. | Ramsey and Flanagan, 1982 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 139.80 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas 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 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 ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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