Chemical Properties of Methyl 7-isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylate (CAS 32208-29-0)

InChI

InChI=1S/C21H36O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h14-18H,6-13H2,1-5H3

InChI Key

FJHHBOWEISXQJX-UHFFFAOYSA-N

Formula

C21H36O2

SMILES

COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)CC3CCC12

Molecular Weight¹

320.51

CAS

32208-29-0

• 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°	-22.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-569.79	kJ/mol	Joback Calculated Property
ΔfusH°	23.93	kJ/mol	Joback Calculated Property
ΔvapH°	68.48	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	5.454		Crippen Calculated Property
McVol	281.610	ml/mol	McGowan Calculated Property
Pc	1398.55	kPa	Joback Calculated Property
Inp	[2308.50; 2308.50]
Inp	2308.50		NIST
Inp	2308.50		NIST
Tboil	783.77	K	Joback Calculated Property
Tc	1010.86	K	Joback Calculated Property
Tfus	454.89	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[945.39; 1101.01]	J/mol×K	[783.77; 1010.86]
Cp,gas	945.39	J/mol×K	783.77	Joback Calculated Property
Cp,gas	972.31	J/mol×K	821.62	Joback Calculated Property
Cp,gas	998.47	J/mol×K	859.47	Joback Calculated Property
Cp,gas	1024.15	J/mol×K	897.31	Joback Calculated Property
Cp,gas	1049.62	J/mol×K	935.16	Joback Calculated Property
Cp,gas	1075.15	J/mol×K	973.01	Joback Calculated Property
Cp,gas	1101.01	J/mol×K	1010.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 7-isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylate.

Sources

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

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