Chemical Properties of (+)-(Z)-Methyl epijasmonate

InChI

InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1

InChI Key

GEWDNTWNSAZUDX-WQMVXFAESA-N

Formula

C13H20O3

SMILES

CCC=CCC1C(=O)CCC1CC(=O)OC

Molecular Weight¹

224.30

Other Names

• Z-Methyl epi-jasmonoate

• 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°	-188.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-536.79	kJ/mol	Joback Calculated Property
ΔfusH°	26.93	kJ/mol	Joback Calculated Property
ΔvapH°	57.84	kJ/mol	Joback Calculated Property
log10WS	-2.67		Crippen Calculated Property
logPoct/wat	2.501		Crippen Calculated Property
McVol	187.880	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1640.00; 1682.00]
Inp	1682.00		NIST
Inp	1640.00		NIST
Inp	1640.00		NIST
Inp	1640.00		NIST
Tboil	655.72	K	Joback Calculated Property
Tc	866.01	K	Joback Calculated Property
Tfus	378.23	K	Joback Calculated Property
Vc	0.715	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.90; 615.53]	J/mol×K	[655.72; 866.01]
Cp,gas	522.90	J/mol×K	655.72	Joback Calculated Property
Cp,gas	540.85	J/mol×K	690.77	Joback Calculated Property
Cp,gas	557.79	J/mol×K	725.82	Joback Calculated Property
Cp,gas	573.72	J/mol×K	760.87	Joback Calculated Property
Cp,gas	588.65	J/mol×K	795.91	Joback Calculated Property
Cp,gas	602.59	J/mol×K	830.96	Joback Calculated Property
Cp,gas	615.53	J/mol×K	866.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-(Z)-Methyl epijasmonate.

Sources

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

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