Chemical Properties of Cembrene C

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-HPKGDXISSA-N

Formula

C20H32

SMILES

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

Molecular Weight¹

272.47

• 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°	84.96	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	6.618		Crippen Calculated Property
McVol	264.600	ml/mol	McGowan Calculated Property
Inp	[2002.00; 2002.00]
Inp	2002.00		NIST
Inp	2002.00		NIST
Inp	2002.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.94; 916.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.95300e+01
Coefficient B			1.55260e+00
Coefficient C			-5.25200e-04
Coefficient D			-6.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.94	J/mol×K	273.00	Calculated Property
Cp,gas	431.30	J/mol×K	353.78	Calculated Property
Cp,gas	520.96	J/mol×K	434.56	Calculated Property
Cp,gas	602.72	J/mol×K	515.33	Calculated Property
Cp,gas	676.40	J/mol×K	596.11	Calculated Property
Cp,gas	741.79	J/mol×K	676.89	Calculated Property
Cp,gas	798.71	J/mol×K	757.67	Calculated Property
Cp,gas	846.96	J/mol×K	838.44	Calculated Property
Cp,gas	886.34	J/mol×K	919.22	Calculated Property
Cp,gas	916.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041014; 0.0000130]	Pa×s	[319.98; 669.84]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.65154e+01
Coefficient B			3.52587e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			319.98
Temperature range, max.			669.84
η	0.0041014	Pa×s	319.98	Calculated Property
η	0.0012432	Pa×s	358.85	Calculated Property
η	0.0004758	Pa×s	397.73	Calculated Property
η	0.0002161	Pa×s	436.60	Calculated Property
η	0.0001117	Pa×s	475.48	Calculated Property
η	0.0000638	Pa×s	514.35	Calculated Property
η	0.0000394	Pa×s	553.22	Calculated Property
η	0.0000259	Pa×s	592.10	Calculated Property
η	0.0000180	Pa×s	630.97	Calculated Property
η	0.0000130	Pa×s	669.84	Calculated Property

Similar Compounds

Find more compounds similar to Cembrene C.

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.
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