1-Heptene
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N
- CAS Registry Number: 592-76-7
- 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: n-Hept-1-ene; 1-n-Heptene; 1-C7H14; α-Heptylene; Heptylene; NSC 74130; heptene-1; hept-1-ene
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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, IR Spectrum, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -15.1 | kcal/mol | N/A | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° value of -97.7±0.6 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB |
ΔfH°gas | -15.2 | kcal/mol | N/A | Good, 1976 | Value computed using ΔfHliquid° value of -98.4±0.9 kj/mol from Good, 1976 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB |
ΔfH°gas | -14.89 | kcal/mol | Ccb | Rockenfeller and Rossini, 1961 | ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 | -23.35 ± 0.15 | kcal/mol | Eqk | Wiberg, Wasserman, et al., 1984 | Trifluoroacetolysis, hrxn[kcal/mol]=-11.808±0.015; ALS |
ΔfH°liquid | -23.51 ± 0.21 | kcal/mol | Ccb | Good, 1976 | ALS |
ΔfH°liquid | -23.19 ± 0.29 | kcal/mol | Ccb | Rockenfeller and Rossini, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -23.41 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1113.05 ± 0.18 | kcal/mol | Ccb | Good, 1976 | Corresponding ΔfHºliquid = -23.51 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1113.37 ± 0.28 | kcal/mol | Ccb | Rockenfeller and Rossini, 1961 | Corresponding ΔfHºliquid = -23.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1111.61 ± 0.19 | kcal/mol | Ccb | Coops, Mulder, et al., 1947 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1109.4 ± 0.9 kcal/mol; See Coops, Mulder, et al., 1946; Corresponding ΔfHºliquid = -24.95 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 78.310 | cal/mol*K | N/A | McCullough, Finke, et al., 1957 | DH |
S°liquid | 78.61 | cal/mol*K | N/A | Parks, Todd, et al., 1936 | Extrapolation below 80 K, 58.58 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
50.619 | 298.15 | McCullough, Finke, et al., 1957 | T = 11 to 360 K.; DH |
50.870 | 295.1 | Parks, Todd, et al., 1936 | T = 80 to 295 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
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
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 | 367. ± 3. | K | AVG | N/A | Average of 45 out of 46 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 153. ± 3. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 154.30 | K | N/A | McCullough, Finke, et al., 1957, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 153.89 | K | N/A | McCullough, Finke, et al., 1957, 2 | Metastable crystal phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 153.4 | K | N/A | Parks, Todd, et al., 1936, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537.3 ± 0.4 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 537.23 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.05 K; Visual, PRT, IPTS-48, with decomp.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 28.8 ± 0.4 | atm | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.409 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.4 ± 0.04 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.53 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.27 | 326. | A | Stephenson and Malanowski, 1987 | Based on data from 311. to 368. K.; AC |
8.10 | 342. | N/A | Eisen and Orav, 1970 | Based on data from 327. to 367. K. See also Boublik, Fried, et al., 1984.; AC |
8.44 | 310. | MM | Forziati, Camin, et al., 1950 | Based on data from 295. to 318. K.; AC |
8.587 | 300. | V | Lister, 1941 | Heat of bromination at 300 K; ALS |
8.58 | 300. | N/A | Lister, 1941 | Based on data from 255. to 312. K.; AC |
8.25 | 288. | N/A | Bent, Cuthbertson, et al., 1936 | Based on data from 273. to 362. 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 |
---|---|---|---|---|---|
273.19 to 361.89 | 4.21240 | 1400.674 | -34.193 | Bent, Cuthbertson, et al., 1936 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.021 | 154.3 | Domalski and Hearing, 1996 | AC |
3.0261 | 153.4 | Parks, Todd, et al., 1936 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.73 | 153.4 | Parks, Todd, et al., 1936 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.0210 | 153.89 | crystaline, II | liquid | McCullough, Finke, et al., 1957 | DH |
2.9639 | 154.30 | crystaline, I | liquid | McCullough, Finke, et al., 1957 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
19.63 | 153.89 | crystaline, II | liquid | McCullough, Finke, et al., 1957 | DH |
19.21 | 154.30 | crystaline, I | liquid | McCullough, Finke, et al., 1957 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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 by: 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
By formula: H2 + C7H14 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.8 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
By formula: C7H16O = C7H14 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.98 ± 0.05 | kcal/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration |
By formula: C7H16O = C7H14 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.94 ± 0.05 | kcal/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration |
By formula: C7H16O = C7H14 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.84 ± 0.05 | kcal/mol | Cm | Wiberg, Wasserman, et al., 1984 | liquid phase; Heat of hydration |
+ = C7H14Br2
By formula: C7H14 + Br2 = C7H14Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.24 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K |
By formula: C7H14 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.60 ± 0.09 | kcal/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
By formula: C7H14 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.39 ± 0.05 | kcal/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
By formula: C7H14 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.82 ± 0.26 | kcal/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
By formula: C7H14 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.82 ± 0.03 | kcal/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.34 ± 0.08 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.38 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
9.3 ± 0.1 | EI | Haib and Stahl, 1990 | LL |
9.27 ± 0.02 | PE | Ashmore and Burgess, 1978 | LLK |
9.442 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
IR Spectrum
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, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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, IR Spectrum, 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
View image of digitized spectrum (can be printed in landscape orientation).
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. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 972 |
NIST MS number | 230220 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 30. | 688.6 | Soják, Addová, et al., 2002 | He; Column length: 150. m; Column diameter: 0.250 mm |
Capillary | Squalane | 30. | 681.1 | Soják, Addová, et al., 2002 | He; Column length: 93. m; Column diameter: 0.250 mm |
Packed | C78, Branched paraffin | 130. | 685.0 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | Squalane | 100. | 683. | Heinzen, Soares, et al., 1999 | |
Capillary | Squalane | 25. | 681. | Hilal, Carreira, et al., 1994 | |
Packed | C78, Branched paraffin | 130. | 685.9 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Packed | Apolane | 130. | 686. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | OV-1 | 45. | 688.6 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 65. | 688.7 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 45. | 688.6 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 688.7 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 681.8 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 682.3 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | SE-54 | 45. | 691.8 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | SE-54 | 65. | 691.8 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-101 | 40. | 689. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 688. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 689. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 50. | 688.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
Capillary | OV-101 | 70. | 688.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
Capillary | Squalane | 50. | 682. | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 682.6 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | OV-1 | 100. | 689.0 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Packed | SE-30 | 42. | 692. | Rudenko, Mal'tsev, et al., 1985 | Column length: 3. m |
Capillary | DB-1 | 40. | 689. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
Capillary | HP-PONA | 40. | 689. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
Packed | SE-30 | 150. | 690. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Capillary | OV-3 | 30. | 693.9 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 40. | 693.9 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 50. | 693.8 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 60. | 693.8 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 70. | 693.8 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 80. | 693.8 | Chien, Furio, et al., 1983 | |
Capillary | SE-30 | 130. | 690. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 689. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-1 | 30. | 688.8 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 689.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 689.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 690. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 690. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 690.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 687.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 687.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 688. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 688.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 688.8 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 689.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 697. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Packed | Squalane | 100. | 684. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 50. | 681.8 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 682.2 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 681.9 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 681.5 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 80. | 683. | Chrétien and Dubois, 1977 | |
Capillary | Squalane | 50. | 682. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 684.5 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 682.9 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 684.9 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Packed | Apolane | 70. | 683.6 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Capillary | Squalane | 55. | 684.9 | Lulova, Leont'eva, et al., 1975 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 682. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 682. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 50. | 689. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 689. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Squalane | 100. | 683. | Sojak, Hrivnak, et al., 1973 | |
Capillary | Squalane | 115. | 684. | Sojak, Hrivnak, et al., 1973 | |
Capillary | Squalane | 86. | 683. | Sojak, Hrivnak, et al., 1973 | |
Capillary | Apiezon L | 100. | 689.4 | Eisen, Orav, et al., 1972 | Column length: 45. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 682.1 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 682. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 685. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 683. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Capillary | Squalane | 115. | 683.5 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Capillary | Squalane | 86. | 682.8 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Capillary | Squalane | 40. | 683. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Apiezon L | 100. | 687. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 150. | 690. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Squalane | 27. | 682. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 682. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 683. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 683. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 682. | Schomburg, 1967 | Ar; Column length: 100. m |
Packed | Apiezon L | 130. | 684. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 687. | 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 | DB-1 | 689. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | DB-1 | 691. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | OV-101 | 685. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 688.5 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 695. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG 4000 | 100. | 751. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 110. | 751. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 60. | 747. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 70. | 748. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 749. | Rang, Orav, et al., 1988 | |
Packed | Carbowax 20M | 80. | 731. | Szabó and Jánosi, 1979 | Ar, Chromosorb W; Column length: 1.5 m |
Capillary | Polyethylene Glycol 4000 | 50. | 747.7 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 60. | 747.3 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 80. | 749.0 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 60. | 747.3 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 50. | 747.7 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 80. | 749. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 741. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 695. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 688.0 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 689.0 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 689.4 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 690.9 | 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 | Methyl Silicone | 689.3 | Soják, Addová, et al., 2002 | He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C |
Capillary | SPB-1 | 690. | Larráyoz, Addis, et al., 2001 | 30. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min |
Capillary | DB-5 | 688. | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 689. | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 689.4 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | Petrocol DH | 686. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Ultra-1 | 689.01 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 689.10 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 689.22 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 691.74 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 691.87 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 691.94 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | OV-101 | 685. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | Chromosorb 101 | 699. | Voorhees, Hileman, et al., 1975 | 10. K/min; Tstart: 0. C; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 688. | Zaikin and Borisov, 2002 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C |
Packed | SE-30 | 685. | 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 | 736. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 40. | 681.3 | Sojak, Addova, et al., 2000 | He; Column length: 93. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 40. | 683. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 682. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | Squalane | 70. | 682. | Schomburg, 1966 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 693. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | Petrocol DH | 687. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | Ultra-ALLOY-5 | 689. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
Capillary | Ultra-ALLOY-5 | 690. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
Capillary | Ultra-ALLOY-5 | 693. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
Capillary | Petrocol DH | 686. | Sojak, Kubinec, et al., 2006 | 150. m/0.25 mm/1.0 μm, 1. K/min; Tstart: 40. C; Tend: 300. C |
Capillary | MDN-5 | 689. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5MS | 687. | Shoenmakers, Oomen, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C |
Capillary | Methyl Silicone | 683.76 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | OV-101 | 689. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Capillary | SE-54 | 686. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | HP-5 | 691. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | HP-5 | 689. | Larsen and Frisvad, 1995, 2 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | DB-1 | 689. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
Capillary | DB-5 | 694. | 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 | 693. | 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 | 689. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | SE-30 | 687. | Hackett, Gibbon, et al., 1985 | He, 20. C @ 4. min, 2. K/min, 260. C @ 16. min; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | SP-2100 | 686. | Alencar, Alves, et al., 1983 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 683. | Chen and Feng, 2007 | Program: not specified |
Capillary | DB-5 MS | 684. | Liu, Xu, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
Capillary | Polydimethyl siloxane | 683. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Methyl Silicone | 684. | N/A | Program: not specified |
Capillary | DB-5 MS | 700. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | DB-1 | 689. | Zhu and Wang, 2001 | Program: not specified |
Capillary | SPB-1 | 690. | 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 | 687. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 687. | 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 | 690. | 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 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 689. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 692. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | SE-30 | 692. | Robinson and Odell, 1971, 2 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
Packed | Squalane | 681. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 740. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 750. | Chung, Eiserich, et al., 1993 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume 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 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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