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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.37; 621.61]	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			-2.85490e+01
Coefficient B			1.26442e+00
Coefficient C			-7.70960e-04
Coefficient D			1.56700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.37	J/mol×K	273.00	Calculated Property
Cp,gas	329.22	J/mol×K	353.78	Calculated Property
Cp,gas	388.18	J/mol×K	434.56	Calculated Property
Cp,gas	439.75	J/mol×K	515.33	Calculated Property
Cp,gas	484.42	J/mol×K	596.11	Calculated Property
Cp,gas	522.68	J/mol×K	676.89	Calculated Property
Cp,gas	555.04	J/mol×K	757.67	Calculated Property
Cp,gas	581.98	J/mol×K	838.44	Calculated Property
Cp,gas	604.01	J/mol×K	919.22	Calculated Property
Cp,gas	621.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015225; 0.0001168]	Pa×s	[392.69; 670.97]	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			-1.26791e+01
Coefficient B			2.43144e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			392.69
Temperature range, max.			670.97
η	0.0015225	Pa×s	392.69	Calculated Property
η	0.0009689	Pa×s	423.61	Calculated Property
η	0.0006557	Pa×s	454.53	Calculated Property
η	0.0004664	Pa×s	485.45	Calculated Property
η	0.0003455	Pa×s	516.37	Calculated Property
η	0.0002648	Pa×s	547.29	Calculated Property
η	0.0002088	Pa×s	578.21	Calculated Property
η	0.0001687	Pa×s	609.13	Calculated Property
η	0.0001391	Pa×s	640.05	Calculated Property
η	0.0001168	Pa×s	670.97	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.
These property values are available through the Cheméo API. A free account gives you an access key.