Chemical Properties of Propionic acid, 2,3-dimethylphenyl ester

InChI

InChI=1S/C11H14O2/c1-4-11(12)13-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3

InChI Key

RVZGETIBLNCJPU-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

178.23

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[203.02; 470.33]	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			1.29910e+01
Coefficient B			7.96160e-01
Coefficient C			-3.77120e-04
Coefficient D			3.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.02	J/mol×K	273.00	Calculated Property
Cp,gas	249.15	J/mol×K	353.78	Calculated Property
Cp,gas	290.89	J/mol×K	434.56	Calculated Property
Cp,gas	328.37	J/mol×K	515.33	Calculated Property
Cp,gas	361.69	J/mol×K	596.11	Calculated Property
Cp,gas	390.99	J/mol×K	676.89	Calculated Property
Cp,gas	416.38	J/mol×K	757.67	Calculated Property
Cp,gas	437.99	J/mol×K	838.44	Calculated Property
Cp,gas	455.93	J/mol×K	919.22	Calculated Property
Cp,gas	470.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018534; 0.0001922]	Pa×s	[307.52; 528.51]	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			-1.17109e+01
Coefficient B			1.66682e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			307.52
Temperature range, max.			528.51
η	0.0018534	Pa×s	307.52	Calculated Property
η	0.0012414	Pa×s	332.07	Calculated Property
η	0.0008787	Pa×s	356.63	Calculated Property
η	0.0006502	Pa×s	381.18	Calculated Property
η	0.0004991	Pa×s	405.74	Calculated Property
η	0.0003948	Pa×s	430.29	Calculated Property
η	0.0003203	Pa×s	454.85	Calculated Property
η	0.0002655	Pa×s	479.40	Calculated Property
η	0.0002241	Pa×s	503.95	Calculated Property
η	0.0001922	Pa×s	528.51	Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 2,3-dimethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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