Chemical Properties of dehydrovomifoliol

InChI

InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,8H2,1-4H3/t10-,13-/m0/s1

InChI Key

GGJZTVFPVNUIIZ-GWCFXTLKSA-N

Formula

C13H18O3

SMILES

CC1=CC(=O)CC(C)(C)C1(O)C#CC(C)O

Molecular Weight¹

222.28

• 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.
• I : 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°	-111.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.02	kJ/mol	Joback Calculated Property
ΔfusH°	17.85	kJ/mol	Joback Calculated Property
ΔvapH°	82.67	kJ/mol	Joback Calculated Property
log10WS	-2.60		Crippen Calculated Property
logPoct/wat	1.047		Crippen Calculated Property
McVol	183.580	ml/mol	McGowan Calculated Property
Pc	3100.18	kPa	Joback Calculated Property
Inp	[1765.00; 1828.00]
Inp	1828.00		NIST
Inp	1765.00		NIST
Inp	1796.00		NIST
Inp	1807.00		NIST
Inp	1822.00		NIST
Inp	1828.00		NIST
Inp	1765.00		NIST
I	[3065.00; 3067.00]
I	3065.00		NIST
I	3067.00		NIST
I	3067.00		NIST
Tboil	777.08	K	Joback Calculated Property
Tc	994.49	K	Joback Calculated Property
Tfus	581.45	K	Joback Calculated Property
Vc	0.678	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.31; 635.37]	J/mol×K	[777.08; 994.49]
Cp,gas	543.31	J/mol×K	777.08	Joback Calculated Property
Cp,gas	558.06	J/mol×K	813.31	Joback Calculated Property
Cp,gas	572.82	J/mol×K	849.55	Joback Calculated Property
Cp,gas	587.77	J/mol×K	885.78	Joback Calculated Property
Cp,gas	603.06	J/mol×K	922.02	Joback Calculated Property
Cp,gas	618.88	J/mol×K	958.25	Joback Calculated Property
Cp,gas	635.37	J/mol×K	994.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to dehydrovomifoliol.

Sources

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

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