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

• 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°	256.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.18	kJ/mol	Joback Calculated Property
ΔfusH°	16.62	kJ/mol	Joback Calculated Property
ΔvapH°	60.59	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen 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	711.87	K	Joback Calculated Property
Tc	946.21	K	Joback Calculated Property
Tfus	423.26	K	Joback Calculated Property
Vc	0.949	m3/kmol	Joback 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

• 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.