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

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

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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.09	kJ/mol	Joback Calculated Property
logPoct/wat	3.107		Crippen Calculated Property
McVol	206.770	ml/mol	McGowan Calculated Property
Inp	[1882.00; 1898.60]
Inp	1898.60		NIST
Inp	1882.00		NIST
Inp	1898.60		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.14; 701.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.19100e+00
Coefficient B			1.24028e+00
Coefficient C			-6.37820e-04
Coefficient D			9.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.14	J/mol×K	273.00	Calculated Property
Cp,gas	369.26	J/mol×K	353.78	Calculated Property
Cp,gas	432.35	J/mol×K	434.56	Calculated Property
Cp,gas	488.69	J/mol×K	515.33	Calculated Property
Cp,gas	538.59	J/mol×K	596.11	Calculated Property
Cp,gas	582.33	J/mol×K	676.89	Calculated Property
Cp,gas	620.21	J/mol×K	757.67	Calculated Property
Cp,gas	652.53	J/mol×K	838.44	Calculated Property
Cp,gas	679.58	J/mol×K	919.22	Calculated Property
Cp,gas	701.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014735; 0.0003237]	Pa×s	[400.10; 628.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.06858e+01
Coefficient B			1.66671e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			400.10
Temperature range, max.			628.88
η	0.0014735	Pa×s	400.10	Calculated Property
η	0.0011489	Pa×s	425.52	Calculated Property
η	0.0009213	Pa×s	450.94	Calculated Property
η	0.0007564	Pa×s	476.36	Calculated Property
η	0.0006335	Pa×s	501.78	Calculated Property
η	0.0005398	Pa×s	527.20	Calculated Property
η	0.0004667	Pa×s	552.62	Calculated Property
η	0.0004087	Pa×s	578.04	Calculated Property
η	0.0003620	Pa×s	603.46	Calculated Property
η	0.0003237	Pa×s	628.88	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.