Chemical Properties of Methyldavanate

InChI

InChI=1S/C16H24O4/c1-6-16(4)10-9-14(20-16)12(3)13(17)8-7-11(2)15(18)19-5/h6-7,12,14H,1,8-10H2,2-5H3/b11-7+/t12?,14-,16-/m1/s1

InChI Key

ZWWRGHCKXZFVDX-WLWNCFMFSA-N

Formula

C16H24O4

SMILES

C=CC1(C)CCC(C(C)C(=O)CC=C(C)C(=O)OC)O1

Molecular Weight¹

280.36

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.42; 776.52]	J/mol×K	[733.72; 946.01]
Cp,gas	679.42	J/mol×K	733.72	Joback Calculated Property
Cp,gas	697.13	J/mol×K	769.10	Joback Calculated Property
Cp,gas	714.05	J/mol×K	804.48	Joback Calculated Property
Cp,gas	730.33	J/mol×K	839.86	Joback Calculated Property
Cp,gas	746.09	J/mol×K	875.24	Joback Calculated Property
Cp,gas	761.44	J/mol×K	910.63	Joback Calculated Property
Cp,gas	776.52	J/mol×K	946.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyldavanate.

Sources

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

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