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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.79	kJ/mol	Joback Calculated Property
ΔvapH°	82.92	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	6.618		Crippen Calculated Property
McVol	264.600	ml/mol	McGowan Calculated Property
Inp	[1938.00; 1938.00]
Inp	1938.00		NIST
Inp	1938.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.