Chemical Properties of Decane, 2-methyl- (CAS 6975-98-0)

InChI

InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3

InChI Key

CNPVJWYWYZMPDS-UHFFFAOYSA-N

Formula

C11H24

SMILES

CCCCCCCCC(C)C

Molecular Weight¹

156.31

CAS

6975-98-0

Other Names

• 2-methyldecane
• n-C8H17CH(CH3)2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (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_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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (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	0.5050		Relay (1.0) Calculated Property
ΔfG°	39.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-282.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.72	kJ/mol	Joback Calculated Property
ΔvapH°	54.29	kJ/mol	NIST
IE	[9.34; 9.70]	eV
IE	9.70	eV	NIST
IE	9.34	eV	NIST
IE	9.70 ± 0.10	eV	NIST
IE	9.57 ± 0.15	eV	NIST
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	165.850	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[1024.00; 1077.00]
Inp	1067.00		NIST
Inp	1062.30		NIST
Inp	1062.30		NIST
Inp	1064.40		NIST
Inp	1064.00		NIST
Inp	1065.00		NIST
Inp	1068.00		NIST
Inp	1069.00		NIST
Inp	1062.00		NIST
Inp	1077.00		NIST
Inp	1062.00		NIST
Inp	1064.00		NIST
Inp	1065.00		NIST
Inp	1064.00		NIST
Inp	1073.00		NIST
Inp	1076.00		NIST
Inp	1061.00		NIST
Inp	1065.90		NIST
Inp	1059.00		NIST
Inp	1063.90		NIST
Inp	1068.00		NIST
Inp	1065.00		NIST
Inp	1065.78		NIST
Inp	1065.56		NIST
Inp	1065.83		NIST
Inp	1064.98		NIST
Inp	1064.93		NIST
Inp	1065.01		NIST
Inp	1065.00		NIST
Inp	1071.00		NIST
Inp	1063.00		NIST
Inp	1064.00		NIST
Inp	1064.00		NIST
Inp	1065.00		NIST
Inp	1067.00		NIST
Inp	1065.00		NIST
Inp	1068.00		NIST
Inp	1066.00		NIST
Inp	1065.60		NIST
Inp	1068.00		NIST
Inp	1069.00		NIST
Inp	1059.00		NIST
Inp	1067.00		NIST
Inp	1061.00		NIST
Inp	1063.00		NIST
Inp	1064.00		NIST
Inp	1065.00		NIST
Inp	1065.00		NIST
Inp	1058.00		NIST
Inp	1064.00		NIST
Inp	1062.00		NIST
Inp	Outlier 1024.00		NIST
Inp	1063.00		NIST
Inp	1065.00		NIST
Inp	1064.00		NIST
Inp	1062.00		NIST
Inp	1076.00		NIST
Inp	1068.00		NIST
Inp	1064.98		NIST
Inp	1067.00		NIST
Inp	1065.00		NIST
Inp	1071.00		NIST
Inp	1077.00		NIST
I	[1053.00; 1057.00]
I	1057.00		NIST
I	1053.00		NIST
S°gas	578.30 ± 2.00	J/mol×K	NIST
S°liquid	453.80	J/mol×K	NIST
Tboil	[462.27; 462.40]	K
Tboil	462.40	K	NIST
Tboil	462.40	K	NIST
Tboil	462.30 ± 0.50	K	NIST
Tboil	462.30 ± 0.20	K	NIST
Tboil	462.27 ± 0.20	K	NIST
Tc	629.90	K	NIST
Tfus	[224.27; 224.30]	K
Tfus	224.27 ± 0.10	K	NIST
Tfus	224.27 ± 0.02	K	NIST
Tfus	224.29 ± 0.02	K	NIST
Tfus	224.29 ± 0.01	K	NIST
Tfus	224.27 ± 0.03	K	NIST
Tfus	224.29 ± 0.02	K	NIST
Tfus	224.27 ± 0.20	K	NIST
Tfus	224.30 ± 0.20	K	NIST
Ttriple	[224.30; 224.31]	K
Ttriple	224.30 ± 0.01	K	NIST
Ttriple	224.31 ± 0.01	K	NIST
Ttriple	224.30 ± 0.01	K	NIST
Ttriple	224.31 ± 0.01	K	NIST
Vc	0.654	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	341.21	J/mol×K	298.15	NIST
Csat	[311.10; 392.90]	J/mol×K	[230.00; 380.00]
Csat	311.10	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
Csat	314.20	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
Csat	317.80	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
Csat	321.90	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
Csat	326.40	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
Csat	327.90	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
Csat	331.30	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
Csat	336.60	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
Csat	341.10	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
Csat	342.10	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
Csat	348.00	J/mol×K	310.00	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
Csat	354.00	J/mol×K	320.00	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
Csat	360.30	J/mol×K	330.00	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
Csat	366.70	J/mol×K	340.00	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
Csat	373.20	J/mol×K	350.00	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
Csat	379.70	J/mol×K	360.00	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
Csat	386.30	J/mol×K	370.00	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
Csat	392.90	J/mol×K	380.00	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
ΔfusH	[25.06; 25.09]	kJ/mol	[224.30; 224.31]
ΔfusH	25.06	kJ/mol	224.30	NIST
ΔfusH	25.06	kJ/mol	224.30	NIST
ΔfusH	25.09	kJ/mol	224.31	NIST
ΔfusH	25.09	kJ/mol	224.31	NIST
ΔvapH	[40.25; 55.50]	kJ/mol	[283.00; 462.40]
ΔvapH	55.40	kJ/mol	283.00	NIST
ΔvapH	55.50	kJ/mol	313.00	NIST
ΔvapH	51.90	kJ/mol	328.00	NIST
ΔvapH	50.60	kJ/mol	343.00	NIST
ΔvapH	49.50	kJ/mol	358.00	NIST
ΔvapH	47.40	kJ/mol	421.00	NIST
ΔvapH	40.25	kJ/mol	462.40	NIST
ρl	[677.00; 745.80]	kg/m3	[283.15; 373.15]
ρl	745.70	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	745.80	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	738.40	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	738.30	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	730.90	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	730.90	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	723.20	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	723.50	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	715.70	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	715.90	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	708.10	kg/m3	333.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	700.50	kg/m3	343.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	692.80	kg/m3	353.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	684.90	kg/m3	363.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	677.00	kg/m3	373.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ΔfusS	[111.84; 111.84]	J/mol×K	[224.31; 224.31]
ΔfusS	111.84	J/mol×K	224.31	NIST
ΔfusS	111.84	J/mol×K	224.31	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.52; 587.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.79300e+00
Coefficient B			1.05476e+00
Coefficient C			-5.77800e-04
Coefficient D			1.19200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.52	J/mol×K	273.00	Calculated Property
Cp,gas	297.32	J/mol×K	353.78	Calculated Property
Cp,gas	350.23	J/mol×K	434.56	Calculated Property
Cp,gas	397.63	J/mol×K	515.33	Calculated Property
Cp,gas	439.89	J/mol×K	596.11	Calculated Property
Cp,gas	477.39	J/mol×K	676.89	Calculated Property
Cp,gas	510.52	J/mol×K	757.67	Calculated Property
Cp,gas	539.64	J/mol×K	838.44	Calculated Property
Cp,gas	565.13	J/mol×K	919.22	Calculated Property
Cp,gas	587.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047852; 0.0002307]	Pa×s	[224.28; 440.93]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15131e+01
Coefficient B			1.38402e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			224.28
Temperature range, max.			440.93
η	0.0047852	Pa×s	224.28	Calculated Property
η	0.0026311	Pa×s	248.35	Calculated Property
η	0.0016080	Pa×s	272.43	Calculated Property
η	0.0010645	Pa×s	296.50	Calculated Property
η	0.0007498	Pa×s	320.57	Calculated Property
η	0.0005546	Pa×s	344.64	Calculated Property
η	0.0004267	Pa×s	368.71	Calculated Property
η	0.0003390	Pa×s	392.79	Calculated Property
η	0.0002766	Pa×s	416.86	Calculated Property
η	0.0002307	Pa×s	440.93	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[343.34; 492.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42852e+01
Coefficient B			-3.71821e+03
Coefficient C			-7.77050e+01
Temperature range, min.			343.34
Temperature range, max.			492.05
Pvap	1.33	kPa	343.34	Calculated Property
Pvap	3.03	kPa	359.86	Calculated Property
Pvap	6.27	kPa	376.39	Calculated Property
Pvap	12.05	kPa	392.91	Calculated Property
Pvap	21.68	kPa	409.43	Calculated Property
Pvap	36.91	kPa	425.96	Calculated Property
Pvap	59.86	kPa	442.48	Calculated Property
Pvap	93.11	kPa	459.00	Calculated Property
Pvap	139.60	kPa	475.53	Calculated Property
Pvap	202.65	kPa	492.05	Calculated Property
Pvap	[0.01; 101.78]	kPa	[273.00; 462.37]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43212e+01
Coefficient B			-3.77690e+03
Coefficient C			-7.29330e+01
Reference			Osborn and Douslin, 1974
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			273.00
Temperature range, max.			462.37
Pvap	0.01	kPa	273.00	Calculated Property
Pvap	0.06	kPa	294.04	Calculated Property
Pvap	0.28	kPa	315.08	Calculated Property
Pvap	0.97	kPa	336.12	Calculated Property
Pvap	2.81	kPa	357.16	Calculated Property
Pvap	7.02	kPa	378.21	Calculated Property
Pvap	15.59	kPa	399.25	Calculated Property
Pvap	31.43	kPa	420.29	Calculated Property
Pvap	58.49	kPa	441.33	Calculated Property
Pvap	101.78	kPa	462.37	Calculated Property

Similar Compounds

Find more compounds similar to Decane, 2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
• Joback Method
• 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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