Chemical Properties of trans-Vitispirane

InChI

InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3/t11-,13+/m0/s1

InChI Key

DUPDJVDPPBFBPL-WCQYABFASA-N

Formula

C13H20O

SMILES

C=C1C=CCC(C)(C)C12CCC(C)O2

Molecular Weight¹

192.30

• 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 : 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.91; 538.80]	J/mol×K	[548.48; 780.54]
Cp,gas	430.91	J/mol×K	548.48	Joback Calculated Property
Cp,gas	451.73	J/mol×K	587.16	Joback Calculated Property
Cp,gas	471.06	J/mol×K	625.83	Joback Calculated Property
Cp,gas	489.17	J/mol×K	664.51	Joback Calculated Property
Cp,gas	506.32	J/mol×K	703.18	Joback Calculated Property
Cp,gas	522.78	J/mol×K	741.86	Joback Calculated Property
Cp,gas	538.80	J/mol×K	780.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Vitispirane.

Sources

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

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