Chemical Properties of (4aS,4bS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene (CAS 122712-77-0)

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/h7,13-14,17-18H,6,8-12H2,1-5H3/t17-,18-,20+/m1/s1

InChI Key

ASPVQUYRFYUDSC-GGPKGHCWSA-N

Formula

C20H32

SMILES

CC(C)C1=CCC2C(=C1)CCC1C(C)(C)CCCC21C

Molecular Weight¹

272.47

CAS

122712-77-0

• 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.
• 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°	258.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.05	kJ/mol	Joback Calculated Property
ΔfusH°	18.08	kJ/mol	Joback Calculated Property
ΔvapH°	59.62	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	1579.71	kPa	Joback Calculated Property
Inp	[2039.80; 2039.80]
Inp	2039.80		NIST
Inp	2039.80		NIST
Tboil	702.22	K	Joback Calculated Property
Tc	935.86	K	Joback Calculated Property
Tfus	406.50	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[766.28; 911.87]	J/mol×K	[702.22; 935.86]
Cp,gas	766.28	J/mol×K	702.22	Joback Calculated Property
Cp,gas	792.08	J/mol×K	741.16	Joback Calculated Property
Cp,gas	816.84	J/mol×K	780.10	Joback Calculated Property
Cp,gas	840.88	J/mol×K	819.04	Joback Calculated Property
Cp,gas	864.52	J/mol×K	857.98	Joback Calculated Property
Cp,gas	888.08	J/mol×K	896.92	Joback Calculated Property
Cp,gas	911.87	J/mol×K	935.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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