Chemical Properties of 1-Methyl-4-(1-methylethenyl)-3-[1-methyl-1-(4-methylpentyl)-5-methylhept-6-enyl] cyclohexene

InChI

InChI=1S/C25H44/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h9,18-19,21,23-24H,1,4,10-17H2,2-3,5-8H3

InChI Key

BOZVIOBNRKAICT-UHFFFAOYSA-N

Formula

C25H44

SMILES

C=CC(C)CCCC(C)(CCCC(C)C)C1C=C(C)CCC1C(=C)C

Molecular Weight¹

344.62

Other Names

• 3-[1,5-Dimethyl-1-(4-methyl-pentyl)--hept-6-enyl]-4-isopropenyl-1-methyl-cyclohexene

• 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).
• 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
ΔfG°	361.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-257.28	kJ/mol	Joback Calculated Property
ΔfusH°	35.91	kJ/mol	Joback Calculated Property
ΔvapH°	68.99	kJ/mol	Joback Calculated Property
log10WS	-8.53		Crippen Calculated Property
logPoct/wat	8.360		Crippen Calculated Property
McVol	339.350	ml/mol	McGowan Calculated Property
Pc	917.72	kPa	Joback Calculated Property
Inp	[2089.00; 2102.00]
Inp	2089.00		NIST
Inp	2102.00		NIST
Tboil	779.55	K	Joback Calculated Property
Tc	974.84	K	Joback Calculated Property
Tfus	342.87	K	Joback Calculated Property
Vc	1.294	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1075.37; 1198.79]	J/mol×K	[779.55; 974.84]
Cp,gas	1075.37	J/mol×K	779.55	Joback Calculated Property
Cp,gas	1099.11	J/mol×K	812.10	Joback Calculated Property
Cp,gas	1121.48	J/mol×K	844.65	Joback Calculated Property
Cp,gas	1142.57	J/mol×K	877.19	Joback Calculated Property
Cp,gas	1162.43	J/mol×K	909.74	Joback Calculated Property
Cp,gas	1181.15	J/mol×K	942.29	Joback Calculated Property
Cp,gas	1198.79	J/mol×K	974.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-4-(1-methylethenyl)-3-[1-methyl-1-(4-methylpentyl)-5-methylhept-6-enyl] cyclohexene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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