1-Pentene, 4-methyl-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChIKey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
- CAS Registry Number: 691-37-2
- 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: 4-Methyl-1-pentene; (CH3)2CHCH2CH=CH2; 4-Methylpentene-(1); Isobutylethene; 4-methylpent-1-ene
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Gas phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -49.44 ± 0.67 | kJ/mol | Ccb | Steele, Chirico, et al., 1997 |
Phase change data
Go To: Top, Gas 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 327.0 ± 0.3 | K | AVG | N/A | Average of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 130. ± 30. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 495. | K | N/A | Steele, Chirico, et al., 1997, 2 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 32.90 | bar | N/A | Steele, Chirico, et al., 1997, 2 | Uncertainty assigned by TRC = 1.50 bar; derived from fit of obs. vapor pressure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.83 | mol/l | N/A | Steele, Chirico, et al., 1997, 2 | Uncertainty assigned by TRC = 0.12 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 28.8 ± 0.2 | kJ/mol | V | Steele, Chirico, et al., 1997 | ALS |
ΔvapH° | 28.6 ± 0.2 | kJ/mol | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
ΔvapH° | 28.7 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 28.7 | kJ/mol | V | Camin and Rossini, 1956 | ALS |
ΔvapH° | 28.7 | kJ/mol | N/A | Pennington, Scott, et al., 1956 | Based on data from 287. to 328. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.4 ± 0.3 | 320. | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
26.2 ± 0.4 | 340. | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
24.9 ± 0.5 | 360. | EB | Steele, Chirico, et al., 1997, 3 | Based on data from 310. to 360. K.; AC |
30.1 | 280. | A | Stephenson and Malanowski, 1987 | Based on data from 265. to 333. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.93 | 118.9 | Lebedev, Smirnova, et al., 1994 | AC |
Reaction thermochemistry data
Go To: Top, Gas 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: C6H12 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.7 ± 1.5 | kJ/mol | Ciso | Bartolo and Rossini, 1960 | liquid phase; Calculated from ΔHc |
By formula: H2 + C6H12 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -126.7 ± 0.43 | kJ/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase |
By formula: C6H12 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.90 ± 0.42 | kJ/mol | Eqk | Yursha and Kabo, 1976 | liquid phase; At 394.5K |
Gas phase ion energetics data
Go To: Top, Gas 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H12+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.45 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.45 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
9.44 | EI | Lossing and Traeger, 1975 | LLK |
9.452 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H9+ | ≤10.38 | CH3 | EI | Lossing and Traeger, 1975 | LLK |
IR Spectrum
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 compiled by: Coblentz Society, Inc.
- SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% IN CCl4 FOR 650-250 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas 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-1328 |
NIST MS number | 227589 |
Gas Chromatography
Go To: Top, Gas 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. | 556.2 | Soják, Addová, et al., 2002 | He; Column length: 150. m; Column diameter: 0.250 mm |
Capillary | Squalane | 30. | 548.1 | Soják, Addová, et al., 2002 | He; Column length: 93. m; Column diameter: 0.250 mm |
Capillary | Squalane | 25. | 548. | Hilal, Carreira, et al., 1994 | |
Capillary | BP-1 | 0. | 554. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
Capillary | OV-1 | 45. | 556.7 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 65. | 557.1 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 45. | 556.7 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 557.1 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 549.4 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 550.4 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | SE-54 | 45. | 558.7 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | SE-54 | 65. | 559.2 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-101 | 50. | 556. | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
Capillary | OV-101 | 70. | 556.8 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
Capillary | Squalane | 50. | 549.7 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 550.8 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 40. | 556. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
Capillary | HP-PONA | 40. | 556. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
Capillary | OV-3 | 30. | 559.6 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 40. | 559.8 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 50. | 560.0 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 60. | 560.2 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 70. | 560.4 | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 80. | 560.7 | Chien, Furio, et al., 1983 | |
Capillary | OV-1 | 30. | 555.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 556.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 557. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 557.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 558.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 559.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 562.0 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 560.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 559.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 558. | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 556.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 555.1 | Chien, Kopecni, et al., 1981 | H2 |
Packed | Squalane | 80. | 551. | Chrétien and Dubois, 1977 | |
Capillary | Squalane | 50. | 549. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 556. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 549. | Rijks, van den Berg, et al., 1974 | |
Capillary | Squalane | 50. | 549. | Rijks, van den Berg, et al., 1974 | |
Capillary | Squalane | 70. | 550. | Rijks, van den Berg, et al., 1974 | |
Capillary | Squalane | 70. | 550. | Rijks, van den Berg, et al., 1974 | |
Capillary | Squalane | 50. | 549. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 550. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 27. | 547.94 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 559. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 551. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Capillary | Squalane | 40. | 559. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 549. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 550. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 551. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 552. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | SE-30 | 70. | 557. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
Packed | Squalane | 26. | 554. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 561.7 | 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 | 560. | 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 |
---|---|---|---|---|---|
Packed | Carbowax 20M | 130. | 595. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Packed | Carbowax 20M | 70. | 589. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 554.6 | 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 | Petrocol DH | 547. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 40. | 549.0 | Sojak, Addova, et al., 2000 | He; Column length: 93. m; Column diameter: 0.25 mm |
Capillary | SE-54 | 50. | 560. | Xieyun, Maoqi, et al., 1996 | N2; Column length: 40. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 549. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | Squalane | 70. | 549. | Schomburg, 1966 | |
Packed | Methyl Silicone | 50. | 568. | Huguet, 1961 | Nitrogen, Celite C-22; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 553. | 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 | 558. | 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 | 548. | 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 | PONA | 546. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | OV-101 | 554. | 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 | DB-1 | 554. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 552. | Chen and Feng, 2007 | Program: not specified |
Capillary | Polydimethyl siloxane | 551. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | PONA | 562. | Perkin Elmer Instruments, 2002 | Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified |
Capillary | Methyl Silicone | 556. | Zenkevich and Marinichev, 2001 | Program: not specified |
Capillary | DB-1 | 556. | Zhu and Wang, 2001 | Program: not specified |
Capillary | Methyl Silicone | 559. | Spieksma, 1999 | Program: not specified |
Packed | SE-30 | 561. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 551. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 561. | 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 | 551. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
References
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, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic properties and ideal-gas enthalpies of formation for 2-aminoisobutyric acid (2-methylalanine), acetic acid, (4-methyl-3-penten-2-one), 4-methylpent-1-ene, 2,2'-bis(phenylthio)propane, and glycidyl phenyl ether (1,2-epoxy-3-phenoxypropane),
J. Chem. Eng. Data, 1997, 42, 1052-1066. [all data]
Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic Properties and Ideal-Gas Enthalpies of FOrmation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, (Z)-5-Ethylidene-2- norbornene, Mesityl Oxide (4-Methyl-3-pentene-2-one), 4-M,
J. Chem. Eng. Data, 1997, 42, 1053-66. [all data]
Steele, Chirico, et al., 1997, 3
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, ( Z )-5-Ethylidene-2-norbornene, Mesityl Oxide (4-Methyl-3-penten-2-one), 4-Methylpent-1-ene, 2,2'-Bis(phenylthio)propane, and Glycidyl Phenyl Ether (1,2-Epoxy-3-phenoxypropane),
J. Chem. Eng. Data, 1997, 42, 6, 1053-1066, https://doi.org/10.1021/je970099y
. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Camin and Rossini, 1956
Camin, D.L.; Rossini, F.D.,
Physical properties of the 17 isomeric hexenes of the API research series,
J. Phys. Chem., 1956, 60, 1446. [all data]
Pennington, Scott, et al., 1956
Pennington, R.E.; Scott, D.W.; Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Hossenlopp, I.A.; Waddington, G.,
The chemical thermodynamic properties and rotational tautomerism of 1-propanethiol,
J. Am. Chem. Soc., 1956, 78, 3266-3272. [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]
Lebedev, Smirnova, et al., 1994
Lebedev, B.V.; Smirnova, N.N.; Vasil'ev, V.G.; Kiparisova, E.G.; Kleiner, V.I.,
Thermodynamic characteristics of 4-methylpentene-1, poly(4-methylpentene-1), and 4-methylpentene-1 polymerization,
Vysokomol. Soed. A, 1994, 36, 9, 1413. [all data]
Bartolo and Rossini, 1960
Bartolo, H.F.; Rossini, F.D.,
Heats of isomerization of the seventeen isomeric hexenes,
J. Phys. Chem., 1960, 64, 1685-1689. [all data]
Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K.,
Enthalpies of hydrogenation of the hexenes,
J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]
Yursha and Kabo, 1976
Yursha, I.A.; Kabo, G.Ya.,
Equilibrium isomerisation and thermodynamic properties of 2-methylpentenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1976, 50, 330, In original 558. [all data]
Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
Helv. Chim. Acta, 1977, 60, 2213. [all data]
Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C.,
Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations,
J. Am. Chem. Soc., 1975, 97, 1579. [all data]
Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G.,
Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects,
J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]
Soják, Addová, et al., 2002
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Hu, G.,
Gas chromatographic-mass spectrometric characterization of all acyclic C5-C7 alkenes from fluid catalytic cracked gasoline using polydimethylsiloxane and squalane stationary phases,
J. Chromatogr. A, 2002, 947, 1, 103-117, https://doi.org/10.1016/S0021-9673(01)01564-3
. [all data]
Hilal, Carreira, et al., 1994
Hilal, S.H.; Carreira, L.A.; Karickhoff, S.W.; Melton, C.M.,
Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure,
J. Chromatogr. A, 1994, 662, 2, 269-280, https://doi.org/10.1016/0021-9673(94)80515-6
. [all data]
Skrbic and Cvejanov, 1992
Skrbic, B.D.; Cvejanov, J.Dj.,
Unified retention indices of hydrocarbons on BP-1 dimethylsiloxane stationary phase,
Chromatographia, 1992, 34, 1/2, 83-84, https://doi.org/10.1007/BF02290465
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Notes
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
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy 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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