Chemical Properties of Butanoic acid, 2-methyl-, 4-methoxy-2-(3-methyloxiranyl)phenyl ester (CAS 97180-28-4)

InChI

InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3

InChI Key

VXWVNVFBEJTTKA-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

CCC(C)C(=O)Oc1ccc(OC)cc1C1OC1C

Molecular Weight¹

264.32

CAS

97180-28-4

Other Names

• 2-(1',2'-Epoxypropyl)-4-methoxyphenyl 2-methylbutanoate

• 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°	-205.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-601.18	kJ/mol	Joback Calculated Property
ΔfusH°	35.51	kJ/mol	Joback Calculated Property
ΔvapH°	67.88	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	3.107		Crippen Calculated Property
McVol	206.770	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[1882.00; 1898.60]
Inp	1898.60		NIST
Inp	1882.00		NIST
Inp	1898.60		NIST
Tboil	706.53	K	Joback Calculated Property
Tc	918.17	K	Joback Calculated Property
Tfus	429.93	K	Joback Calculated Property
Vc	0.780	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.77; 677.66]	J/mol×K	[706.53; 918.17]
Cp,gas	593.77	J/mol×K	706.53	Joback Calculated Property
Cp,gas	610.23	J/mol×K	741.80	Joback Calculated Property
Cp,gas	625.67	J/mol×K	777.08	Joback Calculated Property
Cp,gas	640.11	J/mol×K	812.35	Joback Calculated Property
Cp,gas	653.58	J/mol×K	847.62	Joback Calculated Property
Cp,gas	666.08	J/mol×K	882.89	Joback Calculated Property
Cp,gas	677.66	J/mol×K	918.17	Joback Calculated Property
η	[0.0002954; 0.0013215]	Pa×s	[429.93; 706.53]
η	0.0013215	Pa×s	429.93	Joback Calculated Property
η	0.0009122	Pa×s	476.03	Joback Calculated Property
η	0.0006723	Pa×s	522.13	Joback Calculated Property
η	0.0005207	Pa×s	568.23	Joback Calculated Property
η	0.0004190	Pa×s	614.33	Joback Calculated Property
η	0.0003475	Pa×s	660.43	Joback Calculated Property
η	0.0002954	Pa×s	706.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-methyl-, 4-methoxy-2-(3-methyloxiranyl)phenyl ester.

Sources

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

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