Chemical Properties of Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]- (CAS 1686-66-4)

InChI

InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16?,17?,19-,20-/m0/s1

InChI Key

VCOVNILQQQZROK-WXDAQCLHSA-N

Formula

C20H32

SMILES

C=CC1(C)CCC2C(=CCC3C(C)(C)CCCC23C)C1

Molecular Weight¹

272.47

CAS

1686-66-4

Other Names

• Podocarp-7-ene, 13«beta»-methyl-13-vinyl-
• Isopimara-7,15-diene
• Isopimaradiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	14.26	kJ/mol	Joback Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Inp	[1968.00; 2013.00]
Inp	1994.00		NIST
Inp	1968.00		NIST
Inp	1994.00		NIST
Inp	1999.00		NIST
Inp	1969.00		NIST
Inp	2013.00		NIST
Inp	1969.00		NIST
Inp	1994.00		NIST
Ip	[2295.00; 2375.00]
Ip	2335.00		NIST
Ip	2375.00		NIST
Ip	Outlier 2295.00		NIST
Ip	2332.00		NIST
Ip	2319.00		NIST
Ip	2346.00		NIST
Ip	2349.00		NIST
Ip	2349.00		NIST
Ip	2335.00		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	[313.98; 971.71]	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			-3.10630e+02
Coefficient B			2.99578e+00
Coefficient C			-2.92294e-03
Coefficient D			1.20950e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.98	J/mol×K	273.00	Calculated Property
Cp,gas	436.93	J/mol×K	353.78	Calculated Property
Cp,gas	538.49	J/mol×K	434.56	Calculated Property
Cp,gas	622.48	J/mol×K	515.33	Calculated Property
Cp,gas	692.73	J/mol×K	596.11	Calculated Property
Cp,gas	753.06	J/mol×K	676.89	Calculated Property
Cp,gas	807.30	J/mol×K	757.67	Calculated Property
Cp,gas	859.27	J/mol×K	838.44	Calculated Property
Cp,gas	912.80	J/mol×K	919.22	Calculated Property
Cp,gas	971.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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