Chemical Properties of Methyl 4-octyloxybenzoate (CAS 62435-37-4)

InChI

InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3

InChI Key

JCVLYBQFVTYGKT-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

CCCCCCCCOc1ccc(C(=O)OC)cc1

Molecular Weight¹

264.36

CAS

62435-37-4

Other Names

• Benzoic acid, 4-(octyloxy)-, methyl ester
• benzoic acid, 4-n-octyloxy-, methyl ester

• 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	[321.94; 749.83]	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			1.96470e+01
Coefficient B			1.26744e+00
Coefficient C			-6.05160e-04
Coefficient D			6.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	321.94	J/mol×K	273.00	Calculated Property
Cp,gas	395.30	J/mol×K	353.78	Calculated Property
Cp,gas	461.71	J/mol×K	434.56	Calculated Property
Cp,gas	521.38	J/mol×K	515.33	Calculated Property
Cp,gas	574.52	J/mol×K	596.11	Calculated Property
Cp,gas	621.35	J/mol×K	676.89	Calculated Property
Cp,gas	662.08	J/mol×K	757.67	Calculated Property
Cp,gas	696.93	J/mol×K	838.44	Calculated Property
Cp,gas	726.10	J/mol×K	919.22	Calculated Property
Cp,gas	749.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013527; 0.0001233]	Pa×s	[373.58; 609.61]	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			-1.27917e+01
Coefficient B			2.31097e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			373.58
Temperature range, max.			609.61
η	0.0013527	Pa×s	373.58	Calculated Property
η	0.0009015	Pa×s	399.81	Calculated Property
η	0.0006316	Pa×s	426.03	Calculated Property
η	0.0004611	Pa×s	452.26	Calculated Property
η	0.0003485	Pa×s	478.48	Calculated Property
η	0.0002711	Pa×s	504.71	Calculated Property
η	0.0002163	Pa×s	530.93	Calculated Property
η	0.0001762	Pa×s	557.16	Calculated Property
η	0.0001462	Pa×s	583.38	Calculated Property
η	0.0001233	Pa×s	609.61	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 4-octyloxybenzoate.

Sources

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

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