Chemical Properties of 2-Ethylbutyric acid, 2-formylphenyl ester

InChI

InChI=1S/C13H16O3/c1-3-10(4-2)13(15)16-12-8-6-5-7-11(12)9-14/h5-10H,3-4H2,1-2H3

InChI Key

NWJRTMIRMYQPJQ-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

CCC(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

220.27

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[247.49; 567.87]	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			6.59200e+00
Coefficient B			1.02604e+00
Coefficient C			-5.49160e-04
Coefficient D			8.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.49	J/mol×K	273.00	Calculated Property
Cp,gas	304.59	J/mol×K	353.78	Calculated Property
Cp,gas	355.69	J/mol×K	434.56	Calculated Property
Cp,gas	401.06	J/mol×K	515.33	Calculated Property
Cp,gas	440.96	J/mol×K	596.11	Calculated Property
Cp,gas	475.67	J/mol×K	676.89	Calculated Property
Cp,gas	505.45	J/mol×K	757.67	Calculated Property
Cp,gas	530.56	J/mol×K	838.44	Calculated Property
Cp,gas	551.28	J/mol×K	919.22	Calculated Property
Cp,gas	567.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026930; 0.0002034]	Pa×s	[344.54; 590.48]	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			-1.21192e+01
Coefficient B			2.13685e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			344.54
Temperature range, max.			590.48
η	0.0026930	Pa×s	344.54	Calculated Property
η	0.0017073	Pa×s	371.87	Calculated Property
η	0.0011520	Pa×s	399.19	Calculated Property
η	0.0008176	Pa×s	426.52	Calculated Property
η	0.0006047	Pa×s	453.84	Calculated Property
η	0.0004628	Pa×s	481.17	Calculated Property
η	0.0003645	Pa×s	508.50	Calculated Property
η	0.0002942	Pa×s	535.82	Calculated Property
η	0.0002425	Pa×s	563.15	Calculated Property
η	0.0002034	Pa×s	590.48	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2-formylphenyl 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

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