Chemical Properties of Hexyl 4-hydroxybenzoate

InChI

InChI=1S/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3

InChI Key

ULULAZKOCFNOIM-UHFFFAOYSA-N

Formula

C13H18O3

SMILES

CCCCCCOC(=O)c1ccc(O)cc1

Molecular Weight¹

222.28

• 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).
• 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).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.23; 602.01]	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			-2.63450e+01
Coefficient B			1.25972e+00
Coefficient C			-8.76360e-04
Coefficient D			2.45000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.23	J/mol×K	273.00	Calculated Property
Cp,gas	320.48	J/mol×K	353.78	Calculated Property
Cp,gas	375.69	J/mol×K	434.56	Calculated Property
Cp,gas	423.63	J/mol×K	515.33	Calculated Property
Cp,gas	465.07	J/mol×K	596.11	Calculated Property
Cp,gas	500.80	J/mol×K	676.89	Calculated Property
Cp,gas	531.58	J/mol×K	757.67	Calculated Property
Cp,gas	558.20	J/mol×K	838.44	Calculated Property
Cp,gas	581.42	J/mol×K	919.22	Calculated Property
Cp,gas	602.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008684; 0.0000287]	Pa×s	[416.74; 611.05]	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			-1.77760e+01
Coefficient B			4.47044e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			416.74
Temperature range, max.			611.05
η	0.0008684	Pa×s	416.74	Calculated Property
η	0.0005120	Pa×s	438.33	Calculated Property
η	0.0003172	Pa×s	459.92	Calculated Property
η	0.0002051	Pa×s	481.51	Calculated Property
η	0.0001377	Pa×s	503.10	Calculated Property
η	0.0000956	Pa×s	524.69	Calculated Property
η	0.0000682	Pa×s	546.28	Calculated Property
η	0.0000500	Pa×s	567.87	Calculated Property
η	0.0000375	Pa×s	589.46	Calculated Property
η	0.0000287	Pa×s	611.05	Calculated Property

Similar Compounds

Find more compounds similar to Hexyl 4-hydroxybenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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