Chemical Properties of 16«alpha»(H)-Phyllocladane

InChI

InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15?,16?,17?,19-,20?/m1/s1

InChI Key

IVZWRQBQDVHDNG-DQGRQHDSSA-N

Formula

C20H34

SMILES

CC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3

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°	272.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-204.87	kJ/mol	Joback Calculated Property
ΔfusH°	16.02	kJ/mol	Joback Calculated Property
ΔvapH°	56.07	kJ/mol	Joback Calculated Property
log10WS	-6.08		Crippen Calculated Property
logPoct/wat	6.055		Crippen Calculated Property
McVol	249.220	ml/mol	McGowan Calculated Property
Pc	1623.29	kPa	Joback Calculated Property
Inp	[1971.00; 1971.00]
Inp	1971.00		NIST
Inp	1971.00		NIST
Tboil	687.75	K	Joback Calculated Property
Tc	927.70	K	Joback Calculated Property
Tfus	431.82	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.84; 962.98]	J/mol×K	[687.75; 927.70]
Cp,gas	794.84	J/mol×K	687.75	Joback Calculated Property
Cp,gas	823.76	J/mol×K	727.74	Joback Calculated Property
Cp,gas	851.66	J/mol×K	767.73	Joback Calculated Property
Cp,gas	879.02	J/mol×K	807.73	Joback Calculated Property
Cp,gas	906.36	J/mol×K	847.72	Joback Calculated Property
Cp,gas	934.18	J/mol×K	887.71	Joback Calculated Property
Cp,gas	962.98	J/mol×K	927.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 16«alpha»(H)-Phyllocladane.

Sources

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

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