Chemical Properties of Nonane, 5-methyl- (CAS 15869-85-9)

InChI

InChI=1S/C10H22/c1-4-6-8-10(3)9-7-5-2/h10H,4-9H2,1-3H3

InChI Key

TYSIILFJZXHVPU-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCC(C)CCCC

Molecular Weight¹

142.28

CAS

15869-85-9

Other Names

• 5-Methylnonane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4518		Relay (1.0) Calculated Property
ΔcH°liquid	-6771.40 ± 1.60	kJ/mol	NIST
ΔfG°	30.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.60	kJ/mol	NIST
ΔfH°liquid	-307.90 ± 1.60	kJ/mol	NIST
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
ΔvapH°	[49.35; 49.80]	kJ/mol
ΔvapH°	49.35	kJ/mol	NIST
ΔvapH°	49.80	kJ/mol	NIST
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2123.64	kPa	Joback Calculated Property
Inp	[954.00; 968.00]
Inp	961.00		NIST
Inp	958.00		NIST
Inp	957.00		NIST
Inp	961.00		NIST
Inp	966.00		NIST
Inp	965.00		NIST
Inp	960.00		NIST
Inp	964.00		NIST
Inp	960.80		NIST
Inp	960.80		NIST
Inp	956.00		NIST
Inp	957.40		NIST
Inp	958.60		NIST
Inp	Outlier 954.00		NIST
Inp	957.00		NIST
Inp	958.00		NIST
Inp	962.00		NIST
Inp	960.00		NIST
Inp	960.00		NIST
Inp	957.00		NIST
Inp	Outlier 967.80		NIST
Inp	957.00		NIST
Inp	962.10		NIST
Inp	958.10		NIST
Inp	959.80		NIST
Inp	963.00		NIST
Inp	961.00		NIST
Inp	961.48		NIST
Inp	961.76		NIST
Inp	961.62		NIST
Inp	960.91		NIST
Inp	961.01		NIST
Inp	960.97		NIST
Inp	960.00		NIST
Inp	960.00		NIST
Inp	959.00		NIST
Inp	966.00		NIST
Inp	962.00		NIST
Inp	961.10		NIST
Inp	961.00		NIST
Inp	957.00		NIST
Inp	957.00		NIST
Inp	960.00		NIST
Inp	Outlier 968.00		NIST
Inp	958.00		NIST
Inp	960.00		NIST
Inp	957.00		NIST
Inp	960.00		NIST
Inp	960.80		NIST
Inp	959.00		NIST
Inp	962.10		NIST
Inp	961.48		NIST
Inp	960.97		NIST
I	[960.00; 960.00]
I	960.00		NIST
I	960.00		NIST
I	960.00		NIST
S°liquid	423.80	J/mol×K	NIST
Tboil	[435.65; 438.30]	K
Tboil	438.30	K	NIST
Tboil	438.30	K	NIST
Tboil	438.30 ± 0.30	K	NIST
Tboil	435.65 ± 2.00	K	NIST
Tboil	438.15 ± 2.00	K	NIST
Tc	609.80	K	NIST
Tfus	[186.35; 186.70]	K
Tfus	186.70 ± 0.20	K	NIST
Tfus	186.35 ± 0.15	K	NIST
Tfus	186.70 ± 0.20	K	NIST
Ttriple	[186.70; 186.70]	K
Ttriple	186.70 ± 0.01	K	NIST
Ttriple	186.70 ± 0.01	K	NIST
Vc	0.574	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.40; 400.03]	J/mol×K	[427.96; 594.01]
Cp,gas	315.40	J/mol×K	427.96	Joback Calculated Property
Cp,gas	330.91	J/mol×K	455.64	Joback Calculated Property
Cp,gas	345.83	J/mol×K	483.31	Joback Calculated Property
Cp,gas	360.19	J/mol×K	510.99	Joback Calculated Property
Cp,gas	374.00	J/mol×K	538.66	Joback Calculated Property
Cp,gas	387.28	J/mol×K	566.34	Joback Calculated Property
Cp,gas	400.03	J/mol×K	594.01	Joback Calculated Property
Cp,liquid	[264.70; 315.70]	J/mol×K	[190.00; 300.00]
Cp,liquid	264.70	J/mol×K	190.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	267.40	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	270.50	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	273.90	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	277.80	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	282.00	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	286.60	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	291.70	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	297.10	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	298.90	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	302.90	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	309.10	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	314.43	J/mol×K	298.10	NIST
Cp,liquid	314.50	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	315.70	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0002262; 0.0108083]	Pa×s	[187.46; 427.96]
η	0.0108083	Pa×s	187.46	Joback Calculated Property
η	0.0032163	Pa×s	227.54	Joback Calculated Property
η	0.0013761	Pa×s	267.63	Joback Calculated Property
η	0.0007345	Pa×s	307.71	Joback Calculated Property
η	0.0004531	Pa×s	347.79	Joback Calculated Property
η	0.0003088	Pa×s	387.88	Joback Calculated Property
η	0.0002262	Pa×s	427.96	Joback Calculated Property
ΔfusH	[16.64; 16.65]	kJ/mol	[186.70; 186.70]
ΔfusH	16.65	kJ/mol	186.70	NIST
ΔfusH	16.65	kJ/mol	186.70	NIST
ΔfusH	16.64	kJ/mol	186.70	NIST
ΔfusH	16.64	kJ/mol	186.70	NIST
ΔvapH	[38.14; 47.00]	kJ/mol	[328.00; 438.30]
ΔvapH	47.00 ± 0.20	kJ/mol	328.00	NIST
ΔvapH	45.90 ± 0.20	kJ/mol	343.00	NIST
ΔvapH	44.60 ± 0.20	kJ/mol	358.00	NIST
ΔvapH	38.14	kJ/mol	438.30	NIST
ΔfusS	[89.13; 89.13]	J/mol×K	[186.70; 186.70]
ΔfusS	89.13	J/mol×K	186.70	NIST
ΔfusS	89.13	J/mol×K	186.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[321.68; 467.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44953e+01
Coefficient B			-3.77885e+03
Coefficient C			-5.57070e+01
Temperature range, min.			321.68
Temperature range, max.			467.18
Pvap	1.33	kPa	321.68	Calculated Property
Pvap	3.01	kPa	337.85	Calculated Property
Pvap	6.22	kPa	354.01	Calculated Property
Pvap	11.93	kPa	370.18	Calculated Property
Pvap	21.46	kPa	386.35	Calculated Property
Pvap	36.57	kPa	402.51	Calculated Property
Pvap	59.41	kPa	418.68	Calculated Property
Pvap	92.61	kPa	434.85	Calculated Property
Pvap	139.21	kPa	451.01	Calculated Property
Pvap	202.67	kPa	467.18	Calculated Property
Pvap	[4.23e-07; 2063.01]	kPa	[185.45; 610.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.03449e+02
Coefficient B			-9.43079e+03
Coefficient C			-1.29252e+01
Coefficient D			6.82316e-06
Temperature range, min.			185.45
Temperature range, max.			610.00
Pvap	4.23e-07	kPa	185.45	Calculated Property
Pvap	7.78e-04	kPa	232.62	Calculated Property
Pvap	0.08	kPa	279.79	Calculated Property
Pvap	1.65	kPa	326.97	Calculated Property
Pvap	13.74	kPa	374.14	Calculated Property
Pvap	64.30	kPa	421.31	Calculated Property
Pvap	206.87	kPa	468.48	Calculated Property
Pvap	518.21	kPa	515.66	Calculated Property
Pvap	1095.48	kPa	562.83	Calculated Property
Pvap	2063.01	kPa	610.00	Calculated Property

Similar Compounds

Find more compounds similar to Nonane, 5-methyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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