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Cyclohexene, 1-methyl-

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-81.25 ± 0.79kJ/molCcbLabbauf and Rossini, 1961 

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltacliquid-4388.39 ± 0.67kJ/molCcbLabbauf and Rossini, 1961Corresponding «DELTA»fliquid = -81.17 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4381.9kJ/molCcbZubova, 1901Corresponding «DELTA»fliquid = -87.4 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil382. ± 4.KAVGN/AAverage of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus152.71KN/AStreiff, Schultz, et al., 1957Uncertainty assigned by TRC = 0.04 K; TRC
Tfus152.75KN/AStreiff, Schultz, et al., 1957Uncertainty assigned by TRC = 0.03 K; TRC
Tfus152.700KN/AStreiff, Schultz, et al., 1957Uncertainty assigned by TRC = 0.05 K; TRC
Tfus152.2KN/ABoord, Henne, et al., 1949Uncertainty assigned by TRC = 0.5 K; TRC
Tfus152.15KN/AAnonymous, 1943Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap37.5 ± 0.2kJ/molGSVerevkin, Wandschneider, et al., 2000Based on data from 275. - 313. K.; AC
Deltavap37.8kJ/molVCamin and Rossini, 1960ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
37.7 ± 0.2294.GSVerevkin, Wandschneider, et al., 2000Based on data from 275. - 313. K.; AC
35.7348.AStephenson and Malanowski, 1987Based on data from 333. - 384. K. See also Eisen and Orav, 1970 and Boublik, Fried, et al., 1984.; AC
36.7324.MMCamin and Rossini, 1960, 2Based on data from 309. - 384. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled 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

Hydrogen + Cyclohexene, 1-methyl- = Cyclohexane, methyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Deltar-111.4 ± 0.37kJ/molChydRogers, Crooks, et al., 1987liquid phase
Deltar-106.3 ± 0.46kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-106.3 ± 0.46kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid

Cyclohexene, 1-methyl- + Trifluoroacetic acid = Acetic acid, trifluoro-, 1-methyl cyclohexyl ester

By formula: C7H12 + C2HF3O2 = C9H13F3O3

Quantity Value Units Method Reference Comment
Deltar-36.56 ± 0.88kJ/molCacWiberg, Wasserman, et al., 1985liquid phase; solvent: Trifluoroacetic acid; Trifluoroacetolysis

Cyclohexene, 1-methyl- + Hydrogen chloride = 1-Chloro-1-methylcyclohexane

By formula: C7H12 + HCl = C7H13Cl

Quantity Value Units Method Reference Comment
Deltar-56.11 ± 0.88kJ/molCmArnett and Pienta, 1980liquid phase; solvent: Methylene chloride; Hydrochlorination

Cyclohexane, methylene- = Cyclohexene, 1-methyl-

By formula: C7H12 = C7H12

Quantity Value Units Method Reference Comment
Deltar-7.2 ± 0.3kJ/molEqkYursha, Kabo, et al., 1974gas phase; Heat of isomerization at 463 K

Cyclohexene, 3-methyl- = Cyclohexene, 1-methyl-

By formula: C7H12 = C7H12

Quantity Value Units Method Reference Comment
Deltar-8.1 ± 0.3kJ/molEqkYursha, Kabo, et al., 1974gas phase; Heat of isomerization at 463 K

Cyclohexene, 4-methyl- = Cyclohexene, 1-methyl-

By formula: C7H12 = C7H12

Quantity Value Units Method Reference Comment
Deltar-5.8 ± 0.3kJ/molEqkYursha, Kabo, et al., 1974gas phase; Heat of isomerization at 463 K

Henry's Law data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
0.013 VN/A

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
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 C7H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)825.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity792.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.67 ± 0.02PERang, Paldoia, et al., 1974LLK
8.67 ± 0.02EIWinters and Collins, 1968RDSH
8.69 ± 0.05PEBaidin, Timoshenko, et al., 1985Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+14.06 ± 0.13?EIWinters and Collins, 1968RDSH
C3H5+13.46 ± 0.09?EIWinters and Collins, 1968RDSH
C4H5+13.22 ± 0.10?EIWinters and Collins, 1968RDSH
C4H6+11.02 ± 0.08?EIWinters and Collins, 1968RDSH
C4H7+11.48 ± 0.05?EIWinters and Collins, 1968RDSH
C5H7+10.47 ± 0.07C2H5EIWinters and Collins, 1968RDSH
C5H8+10.56 ± 0.15C2H4EIWinters and Collins, 1968RDSH
C6H9+10.27 ± 0.09CH3EIWinters and Collins, 1968RDSH
C7H11+10.78 ± 0.05HEIBlanchette, Holmes, et al., 1987LBLHLM

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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 Japan AIST/NIMC Database- Spectrum MS-NW-9258
NIST MS number 231491

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Turner, 1959
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 1306
Instrument n.i.g.
Melting point -120.4
Boiling point 110.3

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101100.776.Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryOV-10180.771.Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.23 mm
CapillarySqualane100.771.5Diez, Guillen, et al., 1990N2; Column length: 45. m; Column diameter: 0.5 mm
CapillarySqualane80.768.5Diez, Guillen, et al., 1990N2; Column length: 45. m; Column diameter: 0.5 mm
CapillarySE-54100.785.3Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-5480.780.4Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.22 mm
CapillaryBP-1100.776.Bermejo, Blanco, et al., 1987N2; Column length: 12. m; Column diameter: 0.22 mm
CapillaryBP-180.772.Bermejo, Blanco, et al., 1987N2; Column length: 12. m; Column diameter: 0.22 mm
CapillaryOV-101100.776.Bermejo, Blanco, et al., 1987N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryOV-10180.771.Bermejo, Blanco, et al., 1987N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryDB-140.763.Lubeck and Sutton, 198460. m/0.264 mm/0.25 «mu»m, H2
CapillaryHP-PONA40.763.Lubeck and Sutton, 198450. m/0.21 mm/0.5 «mu»m, H2
CapillarySE-30130.784.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.772.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.772.Albaigés and Guardino, 1980He; Column length: 64. m; Column diameter: 0.25 mm
CapillarySqualane80.766.4Albaigés and Guardino, 1980He; Column length: 100. m; Column diameter: 0.25 mm
CapillaryApiezon L100.794.Morishita, Okano, et al., 1980Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane50.761.7Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.766.Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane30.758.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane50.763.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane60.765.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane70.766.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane80.769.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane100.773.Rang, Orav, et al., 1977Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane100.768.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillaryApiezon L100.800.Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillaryApiezon L120.808.Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane30.758.5Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.764.3Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.769.3Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane30.758.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.765.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.769.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
PackedSE-3075.771.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane27.757.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.763.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.766.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.770.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
CapillarySqualane120.781.Schomburg, 1966 
CapillarySqualane70.766.Schomburg, 1966 
CapillarySqualane80.769.Schomburg, 1966 
PackedApiezon L130.807.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L190.816.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101758.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG 4000100.932.Rang, Orav, et al., 1988 
CapillaryPEG 400060.915.Rang, Orav, et al., 1988 
CapillaryPEG 400080.923.Rang, Orav, et al., 1988 
CapillaryPEG-20M80.909.Rang, Orav, et al., 1988 
CapillaryPEG-20M100.906.Morishita, Okano, et al., 1980Column length: 75. m; Column diameter: 0.25 mm
CapillaryPEG 4000100.932.Rang, Orav, et al., 1977Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 4000100.931.7Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400060.914.9Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400080.923.1Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 4000100.931.7Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400060.914.9Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400080.923.1Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5763.9Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5765.3Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5766.4Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5772.9Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5763.9Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5765.3Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5766.4Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryPetrocol DH760.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
PackedSE-30773.Buchman, Cao, et al., 1984He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
CapillaryOV-101758.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 «mu»m, 1. K/min; Tstart: 35. C; Tend: 200. C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
PackedCarbowax 20M909.Buchman, Cao, et al., 1984He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPetrocol DH765.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPONA763.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 «mu»m, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryOV-101763.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 «mu»m, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryOV-101766.Chupalov and Zenkevich, 1996N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C
CapillarySE-54764.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1767.Ramnas, Ostermark, et al., 199450. m/0.32 mm/1.0 «mu»m, He, 2. K/min; Tstart: -20. C
CapillarySP-2100760.Alencar, Alves, et al., 1983He, 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

View large format table.

Column type Active phase I Reference Comment
CapillarySqualane772.Chen, 2008Program: not specified
CapillarySqualane773.Chen, 2008Program: not specified
CapillaryMethyl Silicone766.Zenkevich, 2000Program: not specified
CapillaryMethyl Silicone766.Zenkevich and Tsibulskaya, 1997Program: not specified
CapillaryPolydimethyl siloxanes766.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.773.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30779.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane772.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30779.Robinson and Odell, 1971, 2Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)
PackedSqualane772.Robinson and Odell, 1971, 2Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax900.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Labbauf and Rossini, 1961
Labbauf, A.; Rossini, F.D., Heats of combustion, formation, and hydrogenation of 14 selected cyclomonoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 476-480. [all data]

Zubova, 1901
Zubova, P., Data about heat of combustion of compound cycle structure, Zh. Fiz. Khim., 1901, 33, 708-722. [all data]

Streiff, Schultz, et al., 1957
Streiff, A.J.; Schultz, L.H.; Hulme, A.R.; Tucker, J.A.; Krouskop, N.C.; Rossini, F.D., Purification, Purity, and Freezing Points of 20 API Standard API Research Hydrocarbons, Anal. Chem., 1957, 29, 361. [all data]

Boord, Henne, et al., 1949
Boord, C.E.; Henne, A.L.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M., The Grignard Reagent in hydrocarbon synthesis, Ind. Eng. Chem., 1949, 41, 609. [all data]

Anonymous, 1943
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Verevkin, Wandschneider, et al., 2000
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Notes

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