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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1121.37; 1220.98]	J/mol×K	[861.04; 1057.35]
Cp,gas	1121.37	J/mol×K	861.04	Joback Calculated Property
Cp,gas	1140.99	J/mol×K	893.76	Joback Calculated Property
Cp,gas	1159.34	J/mol×K	926.48	Joback Calculated Property
Cp,gas	1176.47	J/mol×K	959.20	Joback Calculated Property
Cp,gas	1192.42	J/mol×K	991.91	Joback Calculated Property
Cp,gas	1207.24	J/mol×K	1024.63	Joback Calculated Property
Cp,gas	1220.98	J/mol×K	1057.35	Joback Calculated Property
η	[0.0000301; 0.0009491]	Pa×s	[437.78; 861.04]
η	0.0009491	Pa×s	437.78	Joback Calculated Property
η	0.0003582	Pa×s	508.32	Joback Calculated Property
η	0.0001714	Pa×s	578.87	Joback Calculated Property
η	0.0000963	Pa×s	649.41	Joback Calculated Property
η	0.0000605	Pa×s	719.95	Joback Calculated Property
η	0.0000414	Pa×s	790.50	Joback Calculated Property
η	0.0000301	Pa×s	861.04	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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