Chemical Properties of 3(Z)-Cembrene A (CAS 71213-92-8)

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/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11-

InChI Key

DMHADBQKVWXPPM-GMVDCNKVSA-N

Formula

C20H32

SMILES

CC1=CCC=C(C)CCC=C(C)CCC(C(C)C)C=C1

Molecular Weight¹

272.47

CAS

71213-92-8

• 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.
• 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°	133.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.66	kJ/mol	Joback Calculated Property
ΔfusH°	22.79	kJ/mol	Joback Calculated Property
ΔvapH°	64.69	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	1450.14	kPa	Joback Calculated Property
Inp	[1938.00; 1938.00]
Inp	1938.00		NIST
Inp	1938.00		NIST
Tboil	721.85	K	Joback Calculated Property
Tc	956.66	K	Joback Calculated Property
Tfus	319.98	K	Joback Calculated Property
Vc	0.963	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.53; 901.53]	J/mol×K	[721.85; 956.66]
Cp,gas	774.53	J/mol×K	721.85	Joback Calculated Property
Cp,gas	800.86	J/mol×K	760.98	Joback Calculated Property
Cp,gas	825.16	J/mol×K	800.12	Joback Calculated Property
Cp,gas	847.39	J/mol×K	839.25	Joback Calculated Property
Cp,gas	867.55	J/mol×K	878.39	Joback Calculated Property
Cp,gas	885.60	J/mol×K	917.52	Joback Calculated Property
Cp,gas	901.53	J/mol×K	956.66	Joback Calculated Property
η	[0.0000089; 0.0041014]	Pa×s	[319.98; 721.85]
η	0.0041014	Pa×s	319.98	Joback Calculated Property
η	0.0006090	Pa×s	386.96	Joback Calculated Property
η	0.0001588	Pa×s	453.94	Joback Calculated Property
η	0.0000585	Pa×s	520.91	Joback Calculated Property
η	0.0000270	Pa×s	587.89	Joback Calculated Property
η	0.0000146	Pa×s	654.87	Joback Calculated Property
η	0.0000089	Pa×s	721.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3(Z)-Cembrene A.

Sources

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

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