Chemical Properties of Undecane, 4-methyl- (CAS 2980-69-0)

InChI

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

InChI Key

KNMXZGDUJVOTOC-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCCCCC(C)CCC

Molecular Weight¹

170.34

CAS

2980-69-0

Other Names

• 4-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).
• I_np : Non-polar retention indices.
• I_p : 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	0.5273		Relay (1.0) Calculated Property
ΔfG°	47.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-295.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.31	kJ/mol	Joback Calculated Property
ΔvapH°	58.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-6.37		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	[1156.00; 1167.00]
Inp	1159.00		NIST
Inp	1163.00		NIST
Inp	1163.00		NIST
Inp	1164.00		NIST
Inp	Outlier 1166.00		NIST
Inp	Outlier 1166.00		NIST
Inp	Outlier 1167.00		NIST
Inp	1162.00		NIST
Inp	Outlier 1156.00		NIST
Inp	1158.60		NIST
Inp	1159.00		NIST
Inp	1160.00		NIST
Inp	1161.00		NIST
Inp	1160.82		NIST
Inp	1161.04		NIST
Inp	1161.03		NIST
Inp	1160.03		NIST
Inp	1160.34		NIST
Inp	1160.35		NIST
Inp	1160.00		NIST
Inp	1159.00		NIST
Inp	1158.00		NIST
Inp	1160.00		NIST
Inp	1162.00		NIST
Inp	1161.20		NIST
Inp	1160.00		NIST
Inp	1159.00		NIST
Inp	1159.00		NIST
Inp	1160.00		NIST
Inp	1161.00		NIST
Inp	1160.34		NIST
Inp	1159.00		NIST
Inp	Outlier 1166.00		NIST
Ip	1147.00		NIST
Tboil	483.00 ± 3.00	K	NIST
Tc	647.55	K	Relay (1.0) Calculated Property
Tfus	206.50 ± 2.00	K	NIST
Vc	0.693	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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	[0.0114708; 0.0002445]	Pa×s	[206.50; 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.			206.50
Temperature range, max.			446.61
η	0.0114708	Pa×s	206.50	Calculated Property
η	0.0050572	Pa×s	233.18	Calculated Property
η	0.0026379	Pa×s	259.86	Calculated Property
η	0.0015532	Pa×s	286.54	Calculated Property
η	0.0010009	Pa×s	313.21	Calculated Property
η	0.0006911	Pa×s	339.89	Calculated Property
η	0.0005036	Pa×s	366.57	Calculated Property
η	0.0003831	Pa×s	393.25	Calculated Property
η	0.0003017	Pa×s	419.93	Calculated Property
η	0.0002445	Pa×s	446.61	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[360.54; 512.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42064e+01
Coefficient B			-3.74738e+03
Coefficient C			-9.13150e+01
Temperature range, min.			360.54
Temperature range, max.			512.61
Pvap	1.33	kPa	360.54	Calculated Property
Pvap	3.03	kPa	377.44	Calculated Property
Pvap	6.29	kPa	394.33	Calculated Property
Pvap	12.09	kPa	411.23	Calculated Property
Pvap	21.77	kPa	428.13	Calculated Property
Pvap	37.04	kPa	445.02	Calculated Property
Pvap	60.04	kPa	461.92	Calculated Property
Pvap	93.30	kPa	478.82	Calculated Property
Pvap	139.76	kPa	495.71	Calculated Property
Pvap	202.67	kPa	512.61	Calculated Property

Similar Compounds

Find more compounds similar to Undecane, 4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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