Chemical Properties of Cyclohexanecarboxylic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C13H14Cl2O2/c14-11-7-6-10(8-12(11)15)17-13(16)9-4-2-1-3-5-9/h6-9H,1-5H2

InChI Key

JMJTVAZCYQSBSD-UHFFFAOYSA-N

Formula

C13H14Cl2O2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)C1CCCCC1

Molecular Weight¹

273.15

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.29	kJ/mol	Joback Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	4.479		Crippen Calculated Property
McVol	191.330	ml/mol	McGowan Calculated Property
Inp	[1967.00; 1967.00]
Inp	1967.00		NIST
Inp	1967.00		NIST
Tboil	600.96	K	Relay (1.0) Calculated Property
Tfus	326.41	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, 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	[234.13; 575.13]	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			-2.86500e+01
Coefficient B			1.12180e+00
Coefficient C			-6.07720e-04
Coefficient D			8.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.13	J/mol×K	273.00	Calculated Property
Cp,gas	296.13	J/mol×K	353.78	Calculated Property
Cp,gas	351.43	J/mol×K	434.56	Calculated Property
Cp,gas	400.34	J/mol×K	515.33	Calculated Property
Cp,gas	443.12	J/mol×K	596.11	Calculated Property
Cp,gas	480.06	J/mol×K	676.89	Calculated Property
Cp,gas	511.45	J/mol×K	757.67	Calculated Property
Cp,gas	537.57	J/mol×K	838.44	Calculated Property
Cp,gas	558.70	J/mol×K	919.22	Calculated Property
Cp,gas	575.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015804; 0.0001607]	Pa×s	[397.28; 652.46]	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			-1.22949e+01
Coefficient B			2.32205e+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.			397.28
Temperature range, max.			652.46
η	0.0015804	Pa×s	397.28	Calculated Property
η	0.0010707	Pa×s	425.63	Calculated Property
η	0.0007616	Pa×s	453.99	Calculated Property
η	0.0005638	Pa×s	482.34	Calculated Property
η	0.0004316	Pa×s	510.69	Calculated Property
η	0.0003398	Pa×s	539.04	Calculated Property
η	0.0002740	Pa×s	567.40	Calculated Property
η	0.0002255	Pa×s	595.75	Calculated Property
η	0.0001889	Pa×s	624.10	Calculated Property
η	0.0001607	Pa×s	652.46	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 3,4-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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