Chemical Properties of Butyric acid, 2-phenyl-, 2,2-dichloroethyl ester

InChI

InChI=1S/C12H14Cl2O2/c1-2-10(9-6-4-3-5-7-9)12(15)16-8-11(13)14/h3-7,10-11H,2,8H2,1H3

InChI Key

HSMIMZKVUUSGOL-UHFFFAOYSA-N

Formula

C12H14Cl2O2

SMILES

CCC(C(=O)OCC(Cl)Cl)c1ccccc1

Molecular Weight¹

261.15

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.59	kJ/mol	Joback Calculated Property
log10WS	-3.83		Relay (1.0) Calculated Property
logPoct/wat	3.527		Crippen Calculated Property
McVol	188.100	ml/mol	McGowan Calculated Property
Inp	[1672.00; 1672.00]
Inp	1672.00		NIST
Inp	1672.00		NIST
Tboil	572.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy 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	[245.31; 545.62]	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			5.90200e+00
Coefficient B			1.03552e+00
Coefficient C			-6.12800e-04
Coefficient D			1.17000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.31	J/mol×K	273.00	Calculated Property
Cp,gas	300.73	J/mol×K	353.78	Calculated Property
Cp,gas	349.77	J/mol×K	434.56	Calculated Property
Cp,gas	392.81	J/mol×K	515.33	Calculated Property
Cp,gas	430.21	J/mol×K	596.11	Calculated Property
Cp,gas	462.35	J/mol×K	676.89	Calculated Property
Cp,gas	489.59	J/mol×K	757.67	Calculated Property
Cp,gas	512.30	J/mol×K	838.44	Calculated Property
Cp,gas	530.85	J/mol×K	919.22	Calculated Property
Cp,gas	545.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040040; 0.0001583]	Pa×s	[323.59; 597.16]	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			-1.25719e+01
Coefficient B			2.28178e+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.			323.59
Temperature range, max.			597.16
η	0.0040040	Pa×s	323.59	Calculated Property
η	0.0021854	Pa×s	353.99	Calculated Property
η	0.0013127	Pa×s	384.38	Calculated Property
η	0.0008496	Pa×s	414.78	Calculated Property
η	0.0005836	Pa×s	445.18	Calculated Property
η	0.0004205	Pa×s	475.57	Calculated Property
η	0.0003152	Pa×s	505.97	Calculated Property
η	0.0002441	Pa×s	536.37	Calculated Property
η	0.0001943	Pa×s	566.76	Calculated Property
η	0.0001583	Pa×s	597.16	Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 2,2-dichloroethyl 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

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