Chemical Properties of 11-methylsqualene

InChI

InChI=1S/C31H52/c1-25(2)15-10-17-27(5)19-12-20-29(7)22-14-24-31(9)30(8)23-13-21-28(6)18-11-16-26(3)4/h15-16,19,21-22H,10-14,17-18,20,23-24H2,1-9H3/b27-19+,28-21+,29-22+,31-30+

InChI Key

ONDJHVGPCYSWSC-PXFYGUSISA-N

Formula

C31H52

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C(C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

424.74

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• 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	0.7112		Relay (1.0) Calculated Property
ΔfG°	631.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.09	kJ/mol	Joback Calculated Property
ΔvapH°	117.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.48	eV	Relay (1.0) Calculated Property
log10WS	-9.04		Relay (1.0) Calculated Property
logPoct/wat	10.995		Crippen Calculated Property
McVol	421.850	ml/mol	McGowan Calculated Property
Pc	675.70	kPa	Joback Calculated Property
Inp	[2830.00; 2830.00]
Inp	2830.00		NIST
Inp	2830.00		NIST
Tboil	654.85	K	Relay (1.0) Calculated Property
Tc	827.25	K	Relay (1.0) Calculated Property
Tfus	244.66	K	Relay (1.0) Calculated Property
Vc	1.477	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1387.10; 1526.18]	J/mol×K	[932.80; 1142.58]
Cp,gas	1387.10	J/mol×K	932.80	Joback Calculated Property
Cp,gas	1411.43	J/mol×K	967.76	Joback Calculated Property
Cp,gas	1435.08	J/mol×K	1002.73	Joback Calculated Property
Cp,gas	1458.22	J/mol×K	1037.69	Joback Calculated Property
Cp,gas	1481.00	J/mol×K	1072.65	Joback Calculated Property
Cp,gas	1503.59	J/mol×K	1107.62	Joback Calculated Property
Cp,gas	1526.18	J/mol×K	1142.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11-methylsqualene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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