Chemical Properties of Undecane, 3-methyl- (CAS 1002-43-3)

InChI

InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3

InChI Key

HTZWVZNRDDOFEI-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCCCCCC(C)CC

Molecular Weight¹

170.33

CAS

1002-43-3

Other Names

• (dl) 3-methylundecane
• 2-Ethyl-decane
• 3-methylundecane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5333		Relay (1.0) Calculated Property
ΔfG°	47.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-302.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.31	kJ/mol	Joback Calculated Property
ΔvapH°	58.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	179.940	ml/mol	McGowan Calculated Property
Pc	1792.42	kPa	Joback Calculated Property
Inp	[1165.00; 1173.00]
Inp	1170.00		NIST
Inp	1173.00		NIST
Inp	Outlier 1165.00		NIST
Inp	1168.00		NIST
Inp	1173.00		NIST
Inp	1173.00		NIST
Inp	1168.00		NIST
Inp	1169.60		NIST
Inp	1170.00		NIST
Inp	1171.00		NIST
Inp	1169.00		NIST
Inp	1172.00		NIST
Inp	1171.00		NIST
Inp	1169.00		NIST
Inp	1173.00		NIST
Inp	1171.00		NIST
Inp	1170.00		NIST
Inp	1173.00		NIST
Inp	1172.20		NIST
Inp	1172.00		NIST
Inp	1171.00		NIST
Inp	1169.00		NIST
Inp	1170.00		NIST
Inp	Outlier 1165.00		NIST
Inp	1172.00		NIST
Inp	1170.00		NIST
Inp	1170.00		NIST
Inp	1170.00		NIST
Inp	1173.00		NIST
Inp	1169.00		NIST
Tboil	476.84	K	Relay (1.0) Calculated Property
Tc	648.81	K	Relay (1.0) Calculated Property
Tfus	[215.15; 218.50]	K
Tfus	215.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	218.50 ± 2.00	K	NIST
Tfus	215.20 ± 5.00	K	NIST
Vc	0.696	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	48.80	kJ/mol	421.00	NIST
ρl	[691.90; 758.60]	kg/m3	[283.15; 373.15]
ρl	758.60	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	758.30	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	751.10	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	751.30	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	744.00	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	743.90	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	736.70	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	736.60	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	729.30	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	729.30	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	721.90	kg/m3	333.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	714.40	kg/m3	343.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	707.00	kg/m3	353.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	699.40	kg/m3	363.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	691.90	kg/m3	373.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.73; 638.96]	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			-9.70200e+00
Coefficient B			1.14976e+00
Coefficient C			-6.32200e-04
Coefficient D			1.31100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.73	J/mol×K	273.00	Calculated Property
Cp,gas	323.74	J/mol×K	353.78	Calculated Property
Cp,gas	381.31	J/mol×K	434.56	Calculated Property
Cp,gas	432.86	J/mol×K	515.33	Calculated Property
Cp,gas	478.80	J/mol×K	596.11	Calculated Property
Cp,gas	519.56	J/mol×K	676.89	Calculated Property
Cp,gas	555.53	J/mol×K	757.67	Calculated Property
Cp,gas	587.15	J/mol×K	838.44	Calculated Property
Cp,gas	614.82	J/mol×K	919.22	Calculated Property
Cp,gas	638.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082980; 0.0002445]	Pa×s	[216.28; 446.61]	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			-1.16262e+01
Coefficient B			1.47818e+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.			216.28
Temperature range, max.			446.61
η	0.0082980	Pa×s	216.28	Calculated Property
η	0.0040265	Pa×s	241.87	Calculated Property
η	0.0022438	Pa×s	267.47	Calculated Property
η	0.0013848	Pa×s	293.06	Calculated Property
η	0.0009235	Pa×s	318.65	Calculated Property
η	0.0006541	Pa×s	344.24	Calculated Property
η	0.0004860	Pa×s	369.83	Calculated Property
η	0.0003752	Pa×s	395.42	Calculated Property
η	0.0002990	Pa×s	421.02	Calculated Property
η	0.0002445	Pa×s	446.61	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[361.64; 514.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41901e+01
Coefficient B			-3.75824e+03
Coefficient C			-9.13150e+01
Temperature range, min.			361.64
Temperature range, max.			514.60
Pvap	1.33	kPa	361.64	Calculated Property
Pvap	3.03	kPa	378.64	Calculated Property
Pvap	6.30	kPa	395.63	Calculated Property
Pvap	12.10	kPa	412.63	Calculated Property
Pvap	21.78	kPa	429.62	Calculated Property
Pvap	37.06	kPa	446.62	Calculated Property
Pvap	60.07	kPa	463.61	Calculated Property
Pvap	93.33	kPa	480.61	Calculated Property
Pvap	139.77	kPa	497.60	Calculated Property
Pvap	202.64	kPa	514.60	Calculated Property

Similar Compounds

Find more compounds similar to Undecane, 3-methyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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