Chemical Properties of 7-Isopropyl-1,1,4a-trimethyl-tetradecahydro-phenanthrene

InChI

InChI=1S/C20H36/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h14-18H,6-13H2,1-5H3

InChI Key

STIVVCHBLMGYSL-UHFFFAOYSA-N

Formula

C20H36

SMILES

CC(C)C1CCC2C(CCC3C(C)(C)CCCC23C)C1

Molecular Weight¹

276.50

• 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°	202.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.35	kJ/mol	Joback Calculated Property
ΔfusH°	18.55	kJ/mol	Joback Calculated Property
ΔvapH°	57.10	kJ/mol	Joback Calculated Property
log10WS	-6.19		Crippen Calculated Property
logPoct/wat	6.301		Crippen Calculated Property
McVol	260.080	ml/mol	McGowan Calculated Property
Pc	1452.35	kPa	Joback Calculated Property
Inp	[1975.00; 1975.00]
Inp	1975.00		NIST
Inp	1975.00		NIST
Tboil	684.60	K	Joback Calculated Property
Tc	912.76	K	Joback Calculated Property
Tfus	371.46	K	Joback Calculated Property
Vc	0.974	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.11; 975.90]	J/mol×K	[684.60; 912.76]
Cp,gas	816.11	J/mol×K	684.60	Joback Calculated Property
Cp,gas	845.19	J/mol×K	722.63	Joback Calculated Property
Cp,gas	872.91	J/mol×K	760.65	Joback Calculated Property
Cp,gas	899.54	J/mol×K	798.68	Joback Calculated Property
Cp,gas	925.39	J/mol×K	836.70	Joback Calculated Property
Cp,gas	950.75	J/mol×K	874.73	Joback Calculated Property
Cp,gas	975.90	J/mol×K	912.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Isopropyl-1,1,4a-trimethyl-tetradecahydro-phenanthrene.

Sources

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

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