Chemical Properties of Phyllocladanol

InChI

InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3

InChI Key

FZSRMADKTOBCNT-UHFFFAOYSA-N

Formula

C20H34O

SMILES

CC1(C)CCCC2(C)C1CCC13CC(CCC12)C(C)(O)C3

Molecular Weight¹

290.48

• 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°	130.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-341.86	kJ/mol	Joback Calculated Property
ΔfusH°	13.80	kJ/mol	Joback Calculated Property
ΔvapH°	71.60	kJ/mol	Joback Calculated Property
log10WS	-5.70		Crippen Calculated Property
logPoct/wat	5.170		Crippen Calculated Property
McVol	255.090	ml/mol	McGowan Calculated Property
Pc	1818.50	kPa	Joback Calculated Property
Inp	[2210.00; 2210.00]
Inp	2210.00		NIST
Inp	2210.00		NIST
Tboil	780.17	K	Joback Calculated Property
Tc	1008.89	K	Joback Calculated Property
Tfus	516.54	K	Joback Calculated Property
Vc	0.960	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[873.24; 1053.70]	J/mol×K	[780.17; 1008.89]
Cp,gas	873.24	J/mol×K	780.17	Joback Calculated Property
Cp,gas	899.87	J/mol×K	818.29	Joback Calculated Property
Cp,gas	927.16	J/mol×K	856.41	Joback Calculated Property
Cp,gas	955.65	J/mol×K	894.53	Joback Calculated Property
Cp,gas	985.88	J/mol×K	932.65	Joback Calculated Property
Cp,gas	1018.38	J/mol×K	970.77	Joback Calculated Property
Cp,gas	1053.70	J/mol×K	1008.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phyllocladanol.

Sources

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

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