Chemical Properties of (Z)-Methyl epi-jasmonate

InChI

InChI=1S/C12H18O3/c1-3-4-5-6-9-10(12(14)15-2)7-8-11(9)13/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-/t9-,10-/m0/s1

InChI Key

LQBORWCRYHAYHJ-NDVXOHMPSA-N

Formula

C12H18O3

SMILES

CCC=CCC1C(=O)CCC1C(=O)OC

Molecular Weight¹

210.27

• 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°	-197.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-516.15	kJ/mol	Joback Calculated Property
ΔfusH°	24.34	kJ/mol	Joback Calculated Property
ΔvapH°	55.61	kJ/mol	Joback Calculated Property
log10WS	-2.25		Crippen Calculated Property
logPoct/wat	2.111		Crippen Calculated Property
McVol	173.790	ml/mol	McGowan Calculated Property
Pc	2289.32	kPa	Joback Calculated Property
Inp	[1677.00; 1683.00]
Inp	1677.00		NIST
Inp	1683.00		NIST
Inp	1683.00		NIST
Tboil	632.84	K	Joback Calculated Property
Tc	846.51	K	Joback Calculated Property
Tfus	366.96	K	Joback Calculated Property
Vc	0.658	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[470.19; 560.71]	J/mol×K	[632.84; 846.51]
Cp,gas	470.19	J/mol×K	632.84	Joback Calculated Property
Cp,gas	487.70	J/mol×K	668.45	Joback Calculated Property
Cp,gas	504.24	J/mol×K	704.06	Joback Calculated Property
Cp,gas	519.80	J/mol×K	739.68	Joback Calculated Property
Cp,gas	534.40	J/mol×K	775.29	Joback Calculated Property
Cp,gas	548.03	J/mol×K	810.90	Joback Calculated Property
Cp,gas	560.71	J/mol×K	846.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Methyl epi-jasmonate.

Sources

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

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