Chemical Properties of Butyric acid, 2-phenyl-, 4-chlorophenyl ester

InChI

InChI=1S/C16H15ClO2/c1-2-15(12-6-4-3-5-7-12)16(18)19-14-10-8-13(17)9-11-14/h3-11,15H,2H2,1H3

InChI Key

LYNMZXASBCHWCJ-UHFFFAOYSA-N

Formula

C16H15ClO2

SMILES

CCC(C(=O)Oc1ccc(Cl)cc1)c1ccccc1

Molecular Weight¹

274.74

• 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).
• 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°	29.93	kJ/mol	Joback Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.439		Crippen Calculated Property
McVol	208.460	ml/mol	McGowan Calculated Property
Inp	[2029.00; 2029.00]
Inp	2029.00		NIST
Inp	2029.00		NIST
Tboil	614.10	K	Relay (1.0) Calculated Property
Tfus	338.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[540.35; 613.10]	J/mol×K	[719.23; 958.53]
Cp,gas	540.35	J/mol×K	719.23	Joback Calculated Property
Cp,gas	555.57	J/mol×K	759.11	Joback Calculated Property
Cp,gas	569.47	J/mol×K	799.00	Joback Calculated Property
Cp,gas	582.11	J/mol×K	838.88	Joback Calculated Property
Cp,gas	593.56	J/mol×K	878.76	Joback Calculated Property
Cp,gas	603.87	J/mol×K	918.65	Joback Calculated Property
Cp,gas	613.10	J/mol×K	958.53	Joback Calculated Property
η	[0.0000916; 0.0015225]	Pa×s	[392.69; 719.23]
η	0.0015225	Pa×s	392.69	Joback Calculated Property
η	0.0007165	Pa×s	447.11	Joback Calculated Property
η	0.0003972	Pa×s	501.54	Joback Calculated Property
η	0.0002471	Pa×s	555.96	Joback Calculated Property
η	0.0001673	Pa×s	610.38	Joback Calculated Property
η	0.0001208	Pa×s	664.81	Joback Calculated Property
η	0.0000916	Pa×s	719.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 4-chlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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