Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(2-chloroethyl) ester

InChI

InChI=1S/C12H18Cl2O4/c13-5-7-17-11(15)9-3-1-2-4-10(9)12(16)18-8-6-14/h9-10H,1-8H2

InChI Key

IKIDGIJIVUSXNH-UHFFFAOYSA-N

Formula

C12H18Cl2O4

SMILES

O=C(OCCCl)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

297.18

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• 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°	36.87	kJ/mol	Joback Calculated Property
ΔvapH°	83.65	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.357		Crippen Calculated Property
McVol	208.440	ml/mol	McGowan Calculated Property
Inp	[2040.00; 2040.00]
Inp	2040.00		NIST
Inp	2040.00		NIST
Tboil	584.54	K	Relay (1.0) Calculated Property
Tfus	322.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[283.68; 662.91]	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			8.91400e+00
Coefficient B			1.14340e+00
Coefficient C			-5.06200e-04
Coefficient D			1.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.68	J/mol×K	273.00	Calculated Property
Cp,gas	350.81	J/mol×K	353.78	Calculated Property
Cp,gas	411.57	J/mol×K	434.56	Calculated Property
Cp,gas	466.01	J/mol×K	515.33	Calculated Property
Cp,gas	514.19	J/mol×K	596.11	Calculated Property
Cp,gas	556.15	J/mol×K	676.89	Calculated Property
Cp,gas	591.95	J/mol×K	757.67	Calculated Property
Cp,gas	621.64	J/mol×K	838.44	Calculated Property
Cp,gas	645.28	J/mol×K	919.22	Calculated Property
Cp,gas	662.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024580; 0.0001786]	Pa×s	[372.64; 621.68]	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			-1.25537e+01
Coefficient B			2.43902e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			372.64
Temperature range, max.			621.68
η	0.0024580	Pa×s	372.64	Calculated Property
η	0.0015634	Pa×s	400.31	Calculated Property
η	0.0010544	Pa×s	427.98	Calculated Property
η	0.0007459	Pa×s	455.65	Calculated Property
η	0.0005490	Pa×s	483.33	Calculated Property
η	0.0004178	Pa×s	511.00	Calculated Property
η	0.0003269	Pa×s	538.67	Calculated Property
η	0.0002620	Pa×s	566.34	Calculated Property
η	0.0002144	Pa×s	594.01	Calculated Property
η	0.0001786	Pa×s	621.68	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(2-chloroethyl) 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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