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_fusH° : Enthalpy of fusion 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.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.80	kJ/mol	Joback Calculated Property
logPoct/wat	6.618		Crippen Calculated Property
McVol	264.600	ml/mol	McGowan Calculated Property
Inp	[1945.00; 1952.00]
Inp	1945.00		NIST
Inp	1952.00		NIST
Inp	1945.00		NIST
Inp	1952.00		NIST
Ip	[2297.00; 2297.00]
Ip	2297.00		NIST
Ip	2297.00		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, Enthalpy of vaporization 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	[334.37; 919.10]	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			-4.93200e+01
Coefficient B			1.55058e+00
Coefficient C			-5.12560e-04
Coefficient D			-6.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.37	J/mol×K	273.00	Calculated Property
Cp,gas	432.01	J/mol×K	353.78	Calculated Property
Cp,gas	521.99	J/mol×K	434.56	Calculated Property
Cp,gas	604.10	J/mol×K	515.33	Calculated Property
Cp,gas	678.12	J/mol×K	596.11	Calculated Property
Cp,gas	743.82	J/mol×K	676.89	Calculated Property
Cp,gas	800.99	J/mol×K	757.67	Calculated Property
Cp,gas	849.41	J/mol×K	838.44	Calculated Property
Cp,gas	888.85	J/mol×K	919.22	Calculated Property
Cp,gas	919.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043264; 0.0000145]	Pa×s	[320.38; 665.67]	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			-1.64314e+01
Coefficient B			3.52047e+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.			320.38
Temperature range, max.			665.67
η	0.0043264	Pa×s	320.38	Calculated Property
η	0.0013359	Pa×s	358.75	Calculated Property
η	0.0005176	Pa×s	397.11	Calculated Property
η	0.0002370	Pa×s	435.48	Calculated Property
η	0.0001232	Pa×s	473.84	Calculated Property
η	0.0000706	Pa×s	512.21	Calculated Property
η	0.0000437	Pa×s	550.57	Calculated Property
η	0.0000288	Pa×s	588.94	Calculated Property
η	0.0000200	Pa×s	627.30	Calculated Property
η	0.0000145	Pa×s	665.67	Calculated Property

Similar Compounds

Find more compounds similar to Isocembrene.

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

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