Chemical Properties of 2,2-Dimethylpropanoic acid, 3-methylphenyl ester

InChI

InChI=1S/C12H16O2/c1-9-6-5-7-10(8-9)14-11(13)12(2,3)4/h5-8H,1-4H3

InChI Key

CHJUBXZEBVYVQV-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

Cc1cccc(OC(=O)C(C)(C)C)c1

Molecular Weight¹

192.25

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_c : Critical 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[220.22; 526.43]	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			-2.66900e+01
Coefficient B			1.07648e+00
Coefficient C			-6.70360e-04
Coefficient D			1.47000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.22	J/mol×K	273.00	Calculated Property
Cp,gas	276.75	J/mol×K	353.78	Calculated Property
Cp,gas	326.57	J/mol×K	434.56	Calculated Property
Cp,gas	370.15	J/mol×K	515.33	Calculated Property
Cp,gas	407.94	J/mol×K	596.11	Calculated Property
Cp,gas	440.41	J/mol×K	676.89	Calculated Property
Cp,gas	468.03	J/mol×K	757.67	Calculated Property
Cp,gas	491.27	J/mol×K	838.44	Calculated Property
Cp,gas	510.58	J/mol×K	919.22	Calculated Property
Cp,gas	526.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029909; 0.0001677]	Pa×s	[308.69; 544.65]	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			-1.24622e+01
Coefficient B			2.05278e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.69
Temperature range, max.			544.65
η	0.0029909	Pa×s	308.69	Calculated Property
η	0.0017771	Pa×s	334.91	Calculated Property
η	0.0011388	Pa×s	361.13	Calculated Property
η	0.0007751	Pa×s	387.34	Calculated Property
η	0.0005539	Pa×s	413.56	Calculated Property
η	0.0004120	Pa×s	439.78	Calculated Property
η	0.0003169	Pa×s	466.00	Calculated Property
η	0.0002506	Pa×s	492.22	Calculated Property
η	0.0002029	Pa×s	518.43	Calculated Property
η	0.0001677	Pa×s	544.65	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic acid, 3-methylphenyl 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.