Chemical Properties of (4aS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene (CAS 41577-36-0)

InChI

InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13-14,18H,6-12H2,1-5H3/t18-,20+/m1/s1

InChI Key

KEQXEEMBFONZBL-QUCCMNQESA-N

Formula

C20H32

SMILES

CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C)C1CC2

Molecular Weight¹

272.47

CAS

41577-36-0

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3799		Relay (... Calculated Property
ΔfG°	256.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-121.55	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.62	kJ/mol	Joback Calculated Property
ΔvapH°	79.31	kJ/mol	Relay (... Calculated Property
IE	7.96	eV	Relay (... Calculated Property
log10WS	-6.21		Relay (... Calculated Property
logPoct/wat	6.286		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[2035.60; 2035.60]
Inp	2035.60		NIST
Inp	2035.60		NIST
I	[2489.00; 2489.00]
I	2489.00		NIST
I	2489.00		NIST
I	2489.00		NIST
Tboil	591.55	K	Relay (... Calculated Property
Tc	827.91	K	Relay (... Calculated Property
Tfus	341.16	K	Relay (... Calculated Property
Vc	0.889	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.74; 908.63]	J/mol×K	[711.87; 946.21]
Cp,gas	764.74	J/mol×K	711.87	Joback Calculated Property
Cp,gas	789.91	J/mol×K	750.93	Joback Calculated Property
Cp,gas	814.18	J/mol×K	789.98	Joback Calculated Property
Cp,gas	837.86	J/mol×K	829.04	Joback Calculated Property
Cp,gas	861.28	J/mol×K	868.09	Joback Calculated Property
Cp,gas	884.76	J/mol×K	907.15	Joback Calculated Property
Cp,gas	908.63	J/mol×K	946.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to (4aS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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