Chemical Properties of 1,1,4a-Trimethyl-7,8a-(«alpha»-methylethano)-tetradecahydro-phenanthrene

InChI

InChI=1S/C20H34/c1-13-12-16-14(13)6-8-17-15(16)7-9-18-19(2,3)10-5-11-20(17,18)4/h13-18H,5-12H2,1-4H3

InChI Key

OITZWLWAQWDBFQ-UHFFFAOYSA-N

Formula

C20H34

SMILES

CC1CC2C1CCC1C2CCC2C(C)(C)CCCC12C

Molecular Weight¹

274.48

• 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°	270.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-240.45	kJ/mol	Joback Calculated Property
ΔfusH°	23.38	kJ/mol	Joback Calculated Property
ΔvapH°	56.92	kJ/mol	Joback Calculated Property
log10WS	-5.84		Crippen Calculated Property
logPoct/wat	5.911		Crippen Calculated Property
McVol	249.220	ml/mol	McGowan Calculated Property
Pc	1525.88	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	682.84	K	Joback Calculated Property
Tc	914.30	K	Joback Calculated Property
Tfus	403.68	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.02; 960.22]	J/mol×K	[682.84; 914.30]
Cp,gas	800.02	J/mol×K	682.84	Joback Calculated Property
Cp,gas	829.05	J/mol×K	721.42	Joback Calculated Property
Cp,gas	856.69	J/mol×K	759.99	Joback Calculated Property
Cp,gas	883.29	J/mol×K	798.57	Joback Calculated Property
Cp,gas	909.19	J/mol×K	837.15	Joback Calculated Property
Cp,gas	934.72	J/mol×K	875.72	Joback Calculated Property
Cp,gas	960.22	J/mol×K	914.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1,4a-Trimethyl-7,8a-(«alpha»-methylethano)-tetradecahydro-phenanthrene.

Sources

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

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