Chemical Properties of Isocembrene

InChI

InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16,20H,4,6-7,9-10,13,15H2,1-3,5H3/b14-12+,17-8+,19-11+

InChI Key

VYWGLUCGRVXWKB-KSJQBYEHSA-N

Formula

C20H32

SMILES

C=C1C=CC(C(C)C)CCC(C)=CCCC(C)=CCC1

Molecular Weight¹

272.47

• 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).
• I_np : Non-polar retention indices.
• I : 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°	166.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-221.73	kJ/mol	Joback Calculated Property
ΔfusH°	20.80	kJ/mol	Joback Calculated Property
ΔvapH°	63.89	kJ/mol	Joback Calculated Property
log10WS	-7.02		Crippen Calculated Property
logPoct/wat	6.618		Crippen Calculated Property
McVol	264.600	ml/mol	McGowan Calculated Property
Pc	1447.94	kPa	Joback Calculated Property
Inp	[1945.00; 1952.00]
Inp	1945.00		NIST
Inp	1952.00		NIST
Inp	1945.00		NIST
Inp	1952.00		NIST
I	[2297.00; 2297.00]
I	2297.00		NIST
I	2297.00		NIST
Tboil	716.87	K	Joback Calculated Property
Tc	950.69	K	Joback Calculated Property
Tfus	320.38	K	Joback Calculated Property
Vc	0.961	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.20; 901.74]	J/mol×K	[716.87; 950.69]
Cp,gas	773.20	J/mol×K	716.87	Joback Calculated Property
Cp,gas	799.79	J/mol×K	755.84	Joback Calculated Property
Cp,gas	824.35	J/mol×K	794.81	Joback Calculated Property
Cp,gas	846.85	J/mol×K	833.78	Joback Calculated Property
Cp,gas	867.27	J/mol×K	872.75	Joback Calculated Property
Cp,gas	885.57	J/mol×K	911.72	Joback Calculated Property
Cp,gas	901.74	J/mol×K	950.69	Joback Calculated Property
η	[0.0000099; 0.0043264]	Pa×s	[320.38; 716.87]
η	0.0043264	Pa×s	320.38	Joback Calculated Property
η	0.0006609	Pa×s	386.46	Joback Calculated Property
η	0.0001748	Pa×s	452.54	Joback Calculated Property
η	0.0000649	Pa×s	518.62	Joback Calculated Property
η	0.0000301	Pa×s	584.71	Joback Calculated Property
η	0.0000163	Pa×s	650.79	Joback Calculated Property
η	0.0000099	Pa×s	716.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isocembrene.

Sources

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

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