Chemical Properties of Undecane, 6-methyl- (CAS 17302-33-9)

InChI

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

InChI Key

VPYZCUCKYWHJGX-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCCC(C)CCCCC

Molecular Weight¹

170.33

CAS

17302-33-9

Other Names

• 6-Methylundecane

• 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).
• 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.
• 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
ΔfG°	47.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-296.29	kJ/mol	Joback Calculated Property
ΔfusH°	23.31	kJ/mol	Joback Calculated Property
ΔvapH°	41.92	kJ/mol	Joback Calculated Property
log10WS	-4.60		Crippen 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	[1147.00; 1157.00]
Inp	1152.00		NIST
Inp	1157.00		NIST
Inp	1152.00		NIST
Inp	1148.00		NIST
Inp	1151.80		NIST
Inp	1152.00		NIST
Inp	1154.00		NIST
Inp	1155.00		NIST
Inp	1156.10		NIST
Inp	1156.00		NIST
Inp	1154.00		NIST
Inp	1152.00		NIST
Inp	1151.00		NIST
Inp	Outlier 1147.00		NIST
Tboil	473.52	K	Joback Calculated Property
Tc	637.74	K	Joback Calculated Property
Tfus	209.30 ± 2.00	K	NIST
Vc	0.702	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.90; 500.43]	J/mol×K	[473.52; 637.74]
Cp,gas	406.90	J/mol×K	473.52	Joback Calculated Property
Cp,gas	424.06	J/mol×K	500.89	Joback Calculated Property
Cp,gas	440.58	J/mol×K	528.26	Joback Calculated Property
Cp,gas	456.45	J/mol×K	555.63	Joback Calculated Property
Cp,gas	471.71	J/mol×K	583.00	Joback Calculated Property
Cp,gas	486.36	J/mol×K	610.37	Joback Calculated Property
Cp,gas	500.43	J/mol×K	637.74	Joback Calculated Property
η	[0.0002026; 0.0101808]	Pa×s	[210.00; 473.52]
η	0.0101808	Pa×s	210.00	Joback Calculated Property
η	0.0030132	Pa×s	253.92	Joback Calculated Property
η	0.0012770	Pa×s	297.84	Joback Calculated Property
η	0.0006749	Pa×s	341.76	Joback Calculated Property
η	0.0004124	Pa×s	385.68	Joback Calculated Property
η	0.0002787	Pa×s	429.60	Joback Calculated Property
η	0.0002026	Pa×s	473.52	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[358.39; 509.41]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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, 6-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.