Nonane, 5-methyl-
- Formula: C10H22
- Molecular weight: 142.2817
- IUPAC Standard InChIKey: TYSIILFJZXHVPU-UHFFFAOYSA-N
- CAS Registry Number: 15869-85-9
- 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. - Species with the same structure:
- Other names: 5-Methylnonane
- Information on this page:
- Other data available:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -258.6 | kJ/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -307.9±1.6 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 49.35 kj/mol from missing citation. |
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 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 | -307.9 ± 1.6 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -310.0 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -6771.4 ± 1.6 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6768.5 ± 1.6 kJ/mol; Corresponding ΔfHºliquid = -307.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 423.8 | J/mol*K | N/A | Parks, West, et al., 1941 | Extrapolation below 80 K, 81.09 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
314.43 | 298.1 | Parks, West, et al., 1941 | T = 80 to 300 K.; DH |
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, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 438.3 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 438.3 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 438.3 | K | N/A | Calingaert and Soroos, 1936 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 435.65 | K | N/A | Levene and Marker, 1934 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 438.15 | K | N/A | Levene and Cretcher, 1918 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 186.7 | K | N/A | Parks, West, et al., 1941, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 186.35 | K | N/A | Calingaert and Soroos, 1936 | Uncertainty assigned by TRC = 0.15 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 186.7 | K | N/A | Parks, West, et al., 1941, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 609.8 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 49.35 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 49.8 | kJ/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.14 | 438.3 | N/A | Majer and Svoboda, 1985 | |
47.0 ± 0.2 | 328. | C | Majer, Svoboda, et al., 1984 | AC |
45.9 ± 0.2 | 343. | C | Majer, Svoboda, et al., 1984 | AC |
44.6 ± 0.2 | 358. | C | Majer, Svoboda, et al., 1984 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
328. to 368. | 70.81 | 0.3114 | 609.8 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.65 | 186.7 | Domalski and Hearing, 1996 | AC |
16.640 | 186.7 | Parks, West, et al., 1941 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
89.13 | 186.7 | Parks, West, et al., 1941 | DH |
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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.00017 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 100. | 957. | Heinzen, Soares, et al., 1999 | |
Capillary | HP-1 | 60. | 961. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 961. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Packed | Squalane | 100. | 966. | Chelghoum, Haddad, et al., 1985 | He, Chromosorb P.A.W.D.M.C.S.; Column length: 10. m |
Packed | Squalane | 110. | 965. | Chelghoum, Haddad, et al., 1985 | He, Chromosorb P.A.W.D.M.C.S.; Column length: 10. m |
Packed | Squalane | 120. | 960. | Chelghoum, Haddad, et al., 1985 | He, Chromosorb P.A.W.D.M.C.S.; Column length: 10. m |
Packed | Squalane | 130. | 960. | Chelghoum, Haddad, et al., 1985 | He, Chromosorb P.A.W.D.M.C.S.; Column length: 10. m |
Packed | Squalane | 140. | 964. | Chelghoum, Haddad, et al., 1985 | He, Chromosorb P.A.W.D.M.C.S.; Column length: 10. m |
Packed | Squalane | 150. | 964. | Chelghoum, Haddad, et al., 1985 | He, Chromosorb P.A.W.D.M.C.S.; Column length: 10. m |
Capillary | DB-1 | 60. | 960.8 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 960.8 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-1 | 60. | 956. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Capillary | Squalane | 60. | 957.4 | Chretien and Dubois, 1976 | |
Capillary | Vacuum Grease Oil (VM-4) | 95. | 958.6 | Sultanov and Arustamova, 1975 | N2; Column length: 150. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 954. | Rappoport and Gäumann, 1973 | |
Capillary | Squalane | 60. | 957. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 958. | Schomburg, 1967 | Ar; Column length: 100. m |
Packed | SE-30 | 70. | 962. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
Packed | SE-30 | 70. | 962. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 960. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Capillary | OV-101 | 960. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | Apiezon L | 957. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 967.8 | 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 | Squalane | 957. | Korol and Lysyuk, 1980 | Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 130. | 960. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Packed | Carbowax 20M | 70. | 960. | 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 | Petrocol DH | 962.1 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-1 | 958.1 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | OV-101 | 959.8 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
Capillary | Ultra-1 | 963. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Cross-Linked Methylsilicone | 961. | Khorasheh, Gray, et al., 1989 | 5. K/min; Tstart: 40. C; Tend: 300. C |
Capillary | Ultra-1 | 961.48 | 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 | 961.76 | 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 | 961.62 | 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 | 960.91 | 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 | 961.01 | 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 | 960.97 | 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 | 960. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 960. | Wu and Lu, 1984 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 959. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | Petrocol DH | 966. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 962. | 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-1 | 961.1 | Krkosova, Kubinec, et al., 2007 | 100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 961. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | OV-101 | 957. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxane | 957. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Polydimethyl siloxanes | 960. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 968. | Spieksma, 1999 | Program: not specified |
Capillary | Squalane | 958. | Petrov, 1984 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 960. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S.,
Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins,
J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Parks, West, et al., 1941
Parks, G.S.; West, T.J.; Moore, G.E.,
Thermal data on organic compounds. XXI. Some heat capacity, entropy and free energy data for the four methylnonanes,
J. Am. Chem. Soc., 1941, 63, 1133-1135. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Calingaert and Soroos, 1936
Calingaert, G.; Soroos, H.,
The methyl nonanes,
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Levene and Marker, 1934
Levene, P.A.; Marker, R.E.,
J. Biol. Chem., 1934, 106, 173. [all data]
Levene and Cretcher, 1918
Levene, P.A.; Cretcher,
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Parks, West, et al., 1941, 2
Parks, G.S.; West, T.J.; Moore, G.E.,
Thermal data on organic compounds. XXI. Some heat capacity, entropy and free energy data form the four methylnonanes.,
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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,
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Majer, Svoboda, et al., 1984
Majer, V.; Svoboda, V.; Pechacek, J.; Hala, S.,
Enthalpies of vaporization and cohesive energies of eight C9 to C11,
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Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A.,
Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes,
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Zhang, Li, et al., 1992
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Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions,
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Chelghoum, Haddad, et al., 1985
Chelghoum, C.; Haddad, Y.; Abdeddaim, K.; Guermouche, M.H.,
Indices de retention et structure moléculaire des iso-decanes,
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Lubeck, A.J.; Sutton, DL.,
Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
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Nijs and Jacobs, 1981
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On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
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Chretien, J.R.; Dubois, J.-E.,
New Perspectives in the Prediction of Kovats Indices,
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. [all data]
Sultanov and Arustamova, 1975
Sultanov, N.T.; Arustamova, L.G.,
Determination of the boiling points of C10 isoalkanes in an n-decane isomerizate from gas chromatographic retention indices,
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Rappoport and Gäumann, 1973
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114. L'indice de rétention des alcanes isomères en chromatographie en phase gazeuse,
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Matukuma, 1969
Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
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Schomburg, 1967
Schomburg, G.,
Struktur und Retentionsverhalten von Offenkettigen und Cyclischen Kohlenwasserstoffen und Deren Einfacher Substitutionsprodukte,
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Gas chromatographic identification of hydrocarbons using retention indices,
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Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
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Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
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Louis, 1971
Louis, R.,
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Korol, A.N.; Lysyuk, L.S.,
A New Thermodynamic Method for Calculating the Retention Indices of Isoalkanes on Squalane,
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Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T.,
Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
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Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
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Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography,
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Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust,
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Khorasheh, Gray, et al., 1989
Khorasheh, F.; Gray, M.R.; Selucky, M.L.,
Correlation for Kováts retention index of C9-C26 monoalkyl and polymethyl alkanes and alkenes,
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Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W.,
Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates,
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Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W.,
Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]
Wu and Lu, 1984
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Hydrocarbon analysis by open-tubular column chromatography with programmed temperature for straight run gasoline,
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 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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