Chemical Properties of Hexyl 3,4-dimethylbenzoate

InChI

InChI=1S/C15H22O2/c1-4-5-6-7-10-17-15(16)14-9-8-12(2)13(3)11-14/h8-9,11H,4-7,10H2,1-3H3

InChI Key

NUPRBGNIFNXSFI-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CCCCCCOC(=O)c1ccc(C)c(C)c1

Molecular Weight¹

234.34

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[287.87; 676.70]	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			9.35500e+00
Coefficient B			1.17616e+00
Coefficient C			-5.94720e-04
Coefficient D			8.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.87	J/mol×K	273.00	Calculated Property
Cp,gas	354.82	J/mol×K	353.78	Calculated Property
Cp,gas	415.20	J/mol×K	434.56	Calculated Property
Cp,gas	469.29	J/mol×K	515.33	Calculated Property
Cp,gas	517.34	J/mol×K	596.11	Calculated Property
Cp,gas	559.64	J/mol×K	676.89	Calculated Property
Cp,gas	596.45	J/mol×K	757.67	Calculated Property
Cp,gas	628.05	J/mol×K	838.44	Calculated Property
Cp,gas	654.71	J/mol×K	919.22	Calculated Property
Cp,gas	676.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015999; 0.0001607]	Pa×s	[352.60; 584.35]	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			-1.22332e+01
Coefficient B			2.04346e+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.			352.60
Temperature range, max.			584.35
η	0.0015999	Pa×s	352.60	Calculated Property
η	0.0010784	Pa×s	378.35	Calculated Property
η	0.0007644	Pa×s	404.10	Calculated Property
η	0.0005646	Pa×s	429.85	Calculated Property
η	0.0004316	Pa×s	455.60	Calculated Property
η	0.0003395	Pa×s	481.35	Calculated Property
η	0.0002737	Pa×s	507.10	Calculated Property
η	0.0002253	Pa×s	532.85	Calculated Property
η	0.0001888	Pa×s	558.60	Calculated Property
η	0.0001607	Pa×s	584.35	Calculated Property

Similar Compounds

Find more compounds similar to Hexyl 3,4-dimethylbenzoate.

Sources

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

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