Chemical Properties of Benzoic acid, 3,3-dimethylbut-2-yl ester

InChI

InChI=1S/C13H18O2/c1-10(13(2,3)4)15-12(14)11-8-6-5-7-9-11/h5-10H,1-4H3

InChI Key

FDEANYZLSJVGGW-UHFFFAOYSA-N

Formula

C13H18O2

SMILES

CC(OC(=O)c1ccccc1)C(C)(C)C

Molecular Weight¹

206.28

• ω : Acentric Factor.
• 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).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.57; 581.60]	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			-4.35800e+01
Coefficient B			1.23688e+00
Coefficient C			-7.95000e-04
Coefficient D			1.83300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.57	J/mol×K	273.00	Calculated Property
Cp,gas	302.62	J/mol×K	353.78	Calculated Property
Cp,gas	358.83	J/mol×K	434.56	Calculated Property
Cp,gas	407.78	J/mol×K	515.33	Calculated Property
Cp,gas	450.06	J/mol×K	596.11	Calculated Property
Cp,gas	486.25	J/mol×K	676.89	Calculated Property
Cp,gas	516.91	J/mol×K	757.67	Calculated Property
Cp,gas	542.64	J/mol×K	838.44	Calculated Property
Cp,gas	564.01	J/mol×K	919.22	Calculated Property
Cp,gas	581.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056695; 0.0001503]	Pa×s	[292.44; 556.76]	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			-1.28187e+01
Coefficient B			2.23602e+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.			292.44
Temperature range, max.			556.76
η	0.0056695	Pa×s	292.44	Calculated Property
η	0.0028216	Pa×s	321.81	Calculated Property
η	0.0015781	Pa×s	351.18	Calculated Property
η	0.0009654	Pa×s	380.55	Calculated Property
η	0.0006337	Pa×s	409.91	Calculated Property
η	0.0004401	Pa×s	439.28	Calculated Property
η	0.0003199	Pa×s	468.65	Calculated Property
η	0.0002414	Pa×s	498.02	Calculated Property
η	0.0001880	Pa×s	527.39	Calculated Property
η	0.0001503	Pa×s	556.76	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3,3-dimethylbut-2-yl ester.

Sources

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

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