Chemical Properties of 4-Butylbenzoic acid, 5-tetradecyl ester

InChI

InChI=1S/C25H42O2/c1-4-7-10-11-12-13-14-17-24(16-9-6-3)27-25(26)23-20-18-22(19-21-23)15-8-5-2/h18-21,24H,4-17H2,1-3H3

InChI Key

NZQJHZZZCNZSPI-UHFFFAOYSA-N

Formula

C25H42O2

SMILES

CCCCCCCCCC(CCCC)OC(=O)c1ccc(CCCC)cc1

Molecular Weight¹

374.61

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.00	kJ/mol	Joback Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-7.68		Relay (1.0) Calculated Property
logPoct/wat	7.886		Crippen Calculated Property
McVol	346.790	ml/mol	McGowan Calculated Property
Pc	924.43	kPa	Joback Calculated Property
Inp	[2591.00; 2591.00]
Inp	2591.00		NIST
Inp	2591.00		NIST
Tboil	655.97	K	Relay (1.0) Calculated Property
Tfus	254.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[497.14; 1196.18]	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			-1.57160e+01
Coefficient B			2.19156e+00
Coefficient C			-1.20896e-03
Coefficient D			2.29300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	497.14	J/mol×K	273.00	Calculated Property
Cp,gas	618.45	J/mol×K	353.78	Calculated Property
Cp,gas	727.16	J/mol×K	434.56	Calculated Property
Cp,gas	823.99	J/mol×K	515.33	Calculated Property
Cp,gas	909.67	J/mol×K	596.11	Calculated Property
Cp,gas	984.92	J/mol×K	676.89	Calculated Property
Cp,gas	1050.47	J/mol×K	757.67	Calculated Property
Cp,gas	1107.05	J/mol×K	838.44	Calculated Property
Cp,gas	1155.38	J/mol×K	919.22	Calculated Property
Cp,gas	1196.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009491; 0.0000539]	Pa×s	[437.78; 740.15]	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			-1.39821e+01
Coefficient B			3.07414e+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.			437.78
Temperature range, max.			740.15
η	0.0009491	Pa×s	437.78	Calculated Property
η	0.0005754	Pa×s	471.38	Calculated Property
η	0.0003728	Pa×s	504.97	Calculated Property
η	0.0002550	Pa×s	538.57	Calculated Property
η	0.0001824	Pa×s	572.17	Calculated Property
η	0.0001354	Pa×s	605.76	Calculated Property
η	0.0001037	Pa×s	639.36	Calculated Property
η	0.0000816	Pa×s	672.95	Calculated Property
η	0.0000656	Pa×s	706.55	Calculated Property
η	0.0000539	Pa×s	740.15	Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylbenzoic acid, 5-tetradecyl ester.

Sources

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

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