Chemical Properties of Undecane, 5-methyl- (CAS 1632-70-8)

InChI

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

InChI Key

QULNVKABFWNUCW-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCCCC(C)CCCC

Molecular Weight¹

170.33

CAS

1632-70-8

Other Names

• 5-Methylundecane
• 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	0.5293		Relay (1.0) Calculated Property
ΔfG°	47.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-298.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.31	kJ/mol	Joback Calculated Property
ΔvapH°	58.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	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	[1151.00; 1193.00]
Inp	1155.00		NIST
Inp	1159.00		NIST
Inp	1152.00		NIST
Inp	1158.00		NIST
Inp	1156.00		NIST
Inp	1157.00		NIST
Inp	1155.00		NIST
Inp	1152.00		NIST
Inp	1153.60		NIST
Inp	1154.00		NIST
Inp	1156.00		NIST
Inp	1156.00		NIST
Inp	1159.00		NIST
Inp	1156.00		NIST
Inp	1157.14		NIST
Inp	1157.29		NIST
Inp	1157.24		NIST
Inp	1156.30		NIST
Inp	1156.62		NIST
Inp	1156.52		NIST
Inp	1155.00		NIST
Inp	1154.00		NIST
Inp	1156.00		NIST
Inp	1157.40		NIST
Inp	1156.00		NIST
Inp	Outlier 1193.00		NIST
Inp	1155.00		NIST
Inp	1151.00		NIST
Inp	1159.00		NIST
Inp	1156.00		NIST
Inp	1153.60		NIST
Inp	1156.30		NIST
Ip	[1157.00; 1157.00]
Ip	1157.00		NIST
Ip	1157.00		NIST
Tboil	474.37	K	Relay (1.0) Calculated Property
Tc	646.89	K	Relay (1.0) Calculated Property
Tfus	205.40 ± 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	[0.0119191; 0.0002445]	Pa×s	[205.40; 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.			205.40
Temperature range, max.			446.61
η	0.0119191	Pa×s	205.40	Calculated Property
η	0.0051940	Pa×s	232.20	Calculated Property
η	0.0026879	Pa×s	259.00	Calculated Property
η	0.0015739	Pa×s	285.80	Calculated Property
η	0.0010102	Pa×s	312.60	Calculated Property
η	0.0006954	Pa×s	339.40	Calculated Property
η	0.0005056	Pa×s	366.20	Calculated Property
η	0.0003840	Pa×s	393.01	Calculated Property
η	0.0003020	Pa×s	419.81	Calculated Property
η	0.0002445	Pa×s	446.61	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[358.39; 509.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41966e+01
Coefficient B			-3.71480e+03
Coefficient C			-9.13150e+01
Temperature range, min.			358.39
Temperature range, max.			509.41
Pvap	1.33	kPa	358.39	Calculated Property
Pvap	3.03	kPa	375.17	Calculated Property
Pvap	6.30	kPa	391.95	Calculated Property
Pvap	12.10	kPa	408.73	Calculated Property
Pvap	21.78	kPa	425.51	Calculated Property
Pvap	37.05	kPa	442.29	Calculated Property
Pvap	60.06	kPa	459.07	Calculated Property
Pvap	93.33	kPa	475.85	Calculated Property
Pvap	139.78	kPa	492.63	Calculated Property
Pvap	202.66	kPa	509.41	Calculated Property

Similar Compounds

Find more compounds similar to Undecane, 5-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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