Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,2-dichloroethyl ester

InChI

InChI=1S/C12H12Cl2O2/c13-11(14)7-16-12(15)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2

InChI Key

UEBPXVAGGLVLOG-UHFFFAOYSA-N

Formula

C12H12Cl2O2

SMILES

O=C(OCC(Cl)Cl)C1CC1c1ccccc1

Molecular Weight¹

259.13

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.32	kJ/mol	Joback Calculated Property
logPoct/wat	3.137		Crippen Calculated Property
McVol	177.240	ml/mol	McGowan Calculated Property
Inp	[1848.00; 1848.00]
Inp	1848.00		NIST
Inp	1848.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Log10 of Water solubility in mol/l 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	[224.45; 531.48]	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			-3.67190e+01
Coefficient B			1.15400e+00
Coefficient C			-7.74400e-04
Coefficient D			1.88600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.45	J/mol×K	273.00	Calculated Property
Cp,gas	282.97	J/mol×K	353.78	Calculated Property
Cp,gas	334.00	J/mol×K	434.56	Calculated Property
Cp,gas	378.13	J/mol×K	515.33	Calculated Property
Cp,gas	415.96	J/mol×K	596.11	Calculated Property
Cp,gas	448.09	J/mol×K	676.89	Calculated Property
Cp,gas	475.11	J/mol×K	757.67	Calculated Property
Cp,gas	497.62	J/mol×K	838.44	Calculated Property
Cp,gas	516.21	J/mol×K	919.22	Calculated Property
Cp,gas	531.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026258; 0.0004513]	Pa×s	[352.29; 606.41]	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			-1.01447e+01
Coefficient B			1.48043e+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.			352.29
Temperature range, max.			606.41
η	0.0026258	Pa×s	352.29	Calculated Property
η	0.0019224	Pa×s	380.53	Calculated Property
η	0.0014694	Pa×s	408.76	Calculated Property
η	0.0011628	Pa×s	437.00	Calculated Property
η	0.0009467	Pa×s	465.23	Calculated Property
η	0.0007891	Pa×s	493.47	Calculated Property
η	0.0006708	Pa×s	521.71	Calculated Property
η	0.0005799	Pa×s	549.94	Calculated Property
η	0.0005084	Pa×s	578.18	Calculated Property
η	0.0004513	Pa×s	606.41	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-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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