Chemical Properties of Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«alpha»,8a«alpha»)]- (CAS 1686-67-5)

InChI

InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15?,17?,19-,20-/m1/s1

InChI Key

BAIWMJSLFJWAQP-LYBGUNNDSA-N

Formula

C20H32

SMILES

C=CC1(C)CCC2(C)C(CC=C3C2CCCC3(C)C)C1

Molecular Weight¹

272.47

CAS

1686-67-5

Other Names

• Rimuen
• Rimuene
• 5,15-Rosadiene
• Rosa-5,15-diene, (13S)-
• Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, (4aS,4bR,7S,8aR)-
• Rosa-5,15-diene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• I : 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°	315.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-91.75	kJ/mol	Joback Calculated Property
ΔfusH°	14.26	kJ/mol	Joback Calculated Property
ΔvapH°	56.93	kJ/mol	Joback Calculated Property
log10WS	-6.38		Crippen Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1611.58	kPa	Joback Calculated Property
Inp	[1884.00; 1953.00]
Inp	1884.00		NIST
Inp	1906.00		NIST
Inp	1914.00		NIST
Inp	1936.00		NIST
Inp	1886.00		NIST
Inp	1927.00		NIST
Inp	1930.00		NIST
Inp	1894.00		NIST
Inp	1930.00		NIST
Inp	1930.00		NIST
Inp	1930.00		NIST
Inp	1894.00		NIST
Inp	1901.90		NIST
Inp	1926.00		NIST
Inp	Outlier 1953.00		NIST
Inp	1894.00		NIST
Inp	1894.00		NIST
Inp	1926.00		NIST
Inp	1901.90		NIST
Inp	1884.00		NIST
Inp	1927.00		NIST
I	[2156.00; 2233.00]
I	2156.00		NIST
I	2187.00		NIST
I	2200.00		NIST
I	2233.00		NIST
I	2232.00		NIST
I	2232.00		NIST
Tboil	690.77	K	Joback Calculated Property
Tc	930.20	K	Joback Calculated Property
Tfus	426.12	K	Joback Calculated Property
Vc	0.946	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.71; 920.40]	J/mol×K	[690.77; 930.20]
Cp,gas	762.71	J/mol×K	690.77	Joback Calculated Property
Cp,gas	789.62	J/mol×K	730.67	Joback Calculated Property
Cp,gas	815.66	J/mol×K	770.58	Joback Calculated Property
Cp,gas	841.30	J/mol×K	810.48	Joback Calculated Property
Cp,gas	867.00	J/mol×K	850.39	Joback Calculated Property
Cp,gas	893.21	J/mol×K	890.29	Joback Calculated Property
Cp,gas	920.40	J/mol×K	930.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«alpha»,8a«alpha»)]-.

Sources

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

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