Chemical Properties of 6-Methoxyeugenyl isovalerate (CAS 957467-00-4)

InChI

InChI=1S/C16H22O4/c1-6-7-12-9-13(18-4)16(14(10-12)19-5)20-15(17)8-11(2)3/h6,9-11H,1,7-8H2,2-5H3

InChI Key

JWXZLHSKHNEXMZ-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

C=CCc1cc(OC)c(OC(=O)CC(C)C)c(OC)c1

Molecular Weight¹

278.34

CAS

957467-00-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-191.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.54	kJ/mol	Joback Calculated Property
ΔfusH°	30.43	kJ/mol	Joback Calculated Property
ΔvapH°	68.39	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.384		Crippen Calculated Property
McVol	227.420	ml/mol	McGowan Calculated Property
Pc	1727.46	kPa	Joback Calculated Property
Inp	[1951.40; 1951.40]
Inp	1951.40		NIST
Inp	1951.40		NIST
Tboil	724.47	K	Joback Calculated Property
Tc	926.05	K	Joback Calculated Property
Tfus	433.92	K	Joback Calculated Property
Vc	0.859	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[631.83; 712.63]	J/mol×K	[724.47; 926.05]
Cp,gas	631.83	J/mol×K	724.47	Joback Calculated Property
Cp,gas	647.64	J/mol×K	758.07	Joback Calculated Property
Cp,gas	662.52	J/mol×K	791.66	Joback Calculated Property
Cp,gas	676.46	J/mol×K	825.26	Joback Calculated Property
Cp,gas	689.47	J/mol×K	858.86	Joback Calculated Property
Cp,gas	701.52	J/mol×K	892.45	Joback Calculated Property
Cp,gas	712.63	J/mol×K	926.05	Joback Calculated Property
η	[0.0000708; 0.0005834]	Pa×s	[433.92; 724.47]
η	0.0005834	Pa×s	433.92	Joback Calculated Property
η	0.0003441	Pa×s	482.35	Joback Calculated Property
η	0.0002235	Pa×s	530.77	Joback Calculated Property
η	0.0001560	Pa×s	579.19	Joback Calculated Property
η	0.0001151	Pa×s	627.62	Joback Calculated Property
η	0.0000887	Pa×s	676.04	Joback Calculated Property
η	0.0000708	Pa×s	724.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Methoxyeugenyl isovalerate.

Sources

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

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