Chemical Properties of 4-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether (CAS 68162-09-4)

InChI

InChI=1S/C29H42O4/c1-3-5-7-9-10-11-12-14-24-31-26-17-15-25(16-18-26)29(30)33-28-21-19-27(20-22-28)32-23-13-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3

InChI Key

JBMARNOUPBCWIL-UHFFFAOYSA-N

Formula

C29H43O4

SMILES

CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCCC)cc2)cc1

Molecular Weight¹

455.65

CAS

68162-09-4

Other Names

• 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate

• 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_fusH : Enthalpy of fusion at a given temperature (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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.41; 1317.44]	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			1.37240e+01
Coefficient B			2.30084e+00
Coefficient C			-1.16552e-03
Coefficient D			1.68400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	558.41	J/mol×K	273.00	Calculated Property
Cp,gas	689.29	J/mol×K	353.78	Calculated Property
Cp,gas	807.29	J/mol×K	434.56	Calculated Property
Cp,gas	912.94	J/mol×K	515.33	Calculated Property
Cp,gas	1006.79	J/mol×K	596.11	Calculated Property
Cp,gas	1089.35	J/mol×K	676.89	Calculated Property
Cp,gas	1161.16	J/mol×K	757.67	Calculated Property
Cp,gas	1222.76	J/mol×K	838.44	Calculated Property
Cp,gas	1274.68	J/mol×K	919.22	Calculated Property
Cp,gas	1317.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001582; 0.0000187]	Pa×s	[581.26; 882.51]	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			-1.50125e+01
Coefficient B			3.63930e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			581.26
Temperature range, max.			882.51
η	0.0001582	Pa×s	581.26	Calculated Property
η	0.0001125	Pa×s	614.73	Calculated Property
η	0.0000829	Pa×s	648.21	Calculated Property
η	0.0000629	Pa×s	681.68	Calculated Property
η	0.0000490	Pa×s	715.15	Calculated Property
η	0.0000390	Pa×s	748.62	Calculated Property
η	0.0000317	Pa×s	782.10	Calculated Property
η	0.0000262	Pa×s	815.57	Calculated Property
η	0.0000220	Pa×s	849.04	Calculated Property
η	0.0000187	Pa×s	882.51	Calculated Property

Similar Compounds

Find more compounds similar to 4-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether.

Sources

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

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