Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,3-dichlorophenyl ester

InChI

InChI=1S/C16H12Cl2O2/c17-13-7-4-8-14(15(13)18)20-16(19)12-9-11(12)10-5-2-1-3-6-10/h1-8,11-12H,9H2

InChI Key

WXOXQPYTRYTGOM-UHFFFAOYSA-N

Formula

C16H12Cl2O2

SMILES

O=C(Oc1cccc(Cl)c1Cl)C1CC1c1ccccc1

Molecular Weight¹

307.17

• 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°	36.47	kJ/mol	Joback Calculated Property
logPoct/wat	4.703		Crippen Calculated Property
McVol	209.840	ml/mol	McGowan Calculated Property
Inp	[2396.00; 2396.00]
Inp	2396.00		NIST
Inp	2396.00		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	[257.46; 612.70]	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			-4.39800e+01
Coefficient B			1.33020e+00
Coefficient C			-8.85920e-04
Coefficient D			2.12400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.46	J/mol×K	273.00	Calculated Property
Cp,gas	325.14	J/mol×K	353.78	Calculated Property
Cp,gas	384.20	J/mol×K	434.56	Calculated Property
Cp,gas	435.31	J/mol×K	515.33	Calculated Property
Cp,gas	479.15	J/mol×K	596.11	Calculated Property
Cp,gas	516.38	J/mol×K	676.89	Calculated Property
Cp,gas	547.68	J/mol×K	757.67	Calculated Property
Cp,gas	573.72	J/mol×K	838.44	Calculated Property
Cp,gas	595.17	J/mol×K	919.22	Calculated Property
Cp,gas	612.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014168; 0.0003802]	Pa×s	[463.83; 712.10]	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			-1.03326e+01
Coefficient B			1.75015e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			463.83
Temperature range, max.			712.10
η	0.0014168	Pa×s	463.83	Calculated Property
η	0.0011464	Pa×s	491.42	Calculated Property
η	0.0009487	Pa×s	519.00	Calculated Property
η	0.0008002	Pa×s	546.59	Calculated Property
η	0.0006861	Pa×s	574.17	Calculated Property
η	0.0005967	Pa×s	601.76	Calculated Property
η	0.0005252	Pa×s	629.34	Calculated Property
η	0.0004673	Pa×s	656.93	Calculated Property
η	0.0004198	Pa×s	684.51	Calculated Property
η	0.0003802	Pa×s	712.10	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,3-dichlorophenyl 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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