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

InChI

InChI=1S/C17H26O2/c1-4-5-6-7-8-9-13-17(18)19-16-12-10-11-14(2)15(16)3/h10-12H,4-9,13H2,1-3H3

InChI Key

QCWAARQRPVKNFR-UHFFFAOYSA-N

Formula

C17H26O2

SMILES

CCCCCCCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

262.39

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[330.30; 779.88]	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			7.53700e+00
Coefficient B			1.36616e+00
Coefficient C			-7.03520e-04
Coefficient D			1.09700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.30	J/mol×K	273.00	Calculated Property
Cp,gas	407.66	J/mol×K	353.78	Calculated Property
Cp,gas	477.36	J/mol×K	434.56	Calculated Property
Cp,gas	539.75	J/mol×K	515.33	Calculated Property
Cp,gas	595.16	J/mol×K	596.11	Calculated Property
Cp,gas	643.96	J/mol×K	676.89	Calculated Property
Cp,gas	686.48	J/mol×K	757.67	Calculated Property
Cp,gas	723.08	J/mol×K	838.44	Calculated Property
Cp,gas	754.09	J/mol×K	919.22	Calculated Property
Cp,gas	779.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014032; 0.0001391]	Pa×s	[375.14; 613.46]	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			-1.25182e+01
Coefficient B			2.23178e+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.			375.14
Temperature range, max.			613.46
η	0.0014032	Pa×s	375.14	Calculated Property
η	0.0009479	Pa×s	401.62	Calculated Property
η	0.0006722	Pa×s	428.10	Calculated Property
η	0.0004962	Pa×s	454.58	Calculated Property
η	0.0003787	Pa×s	481.06	Calculated Property
η	0.0002973	Pa×s	507.54	Calculated Property
η	0.0002390	Pa×s	534.02	Calculated Property
η	0.0001962	Pa×s	560.50	Calculated Property
η	0.0001639	Pa×s	586.98	Calculated Property
η	0.0001391	Pa×s	613.46	Calculated Property

Similar Compounds

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

Sources

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

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