Chemical Properties of Succinic acid, cyclohexylmethyl 2,2-dichloroethyl ester

InChI

InChI=1S/C13H20Cl2O4/c14-11(15)9-19-13(17)7-6-12(16)18-8-10-4-2-1-3-5-10/h10-11H,1-9H2

InChI Key

OCCZKQPFLUNJLP-UHFFFAOYSA-N

Formula

C13H20Cl2O4

SMILES

O=C(CCC(=O)OCC1CCCCC1)OCC(Cl)Cl

Molecular Weight¹

311.20

• 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°	34.87	kJ/mol	Joback Calculated Property
logPoct/wat	3.237		Crippen Calculated Property
McVol	222.530	ml/mol	McGowan Calculated Property
Inp	[2098.00; 2098.00]
Inp	2098.00		NIST
Inp	2098.00		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	[302.31; 708.38]	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			3.84000e-01
Coefficient B			1.27080e+00
Coefficient C			-6.19200e-04
Coefficient D			5.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	302.31	J/mol×K	273.00	Calculated Property
Cp,gas	374.96	J/mol×K	353.78	Calculated Property
Cp,gas	440.32	J/mol×K	434.56	Calculated Property
Cp,gas	498.55	J/mol×K	515.33	Calculated Property
Cp,gas	549.84	J/mol×K	596.11	Calculated Property
Cp,gas	594.36	J/mol×K	676.89	Calculated Property
Cp,gas	632.30	J/mol×K	757.67	Calculated Property
Cp,gas	663.83	J/mol×K	838.44	Calculated Property
Cp,gas	689.13	J/mol×K	919.22	Calculated Property
Cp,gas	708.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029802; 0.0001267]	Pa×s	[373.15; 641.27]	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			-1.33695e+01
Coefficient B			2.81869e+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.			373.15
Temperature range, max.			641.27
η	0.0029802	Pa×s	373.15	Calculated Property
η	0.0017049	Pa×s	402.94	Calculated Property
η	0.0010533	Pa×s	432.73	Calculated Property
η	0.0006924	Pa×s	462.52	Calculated Property
η	0.0004788	Pa×s	492.31	Calculated Property
η	0.0003454	Pa×s	522.10	Calculated Property
η	0.0002581	Pa×s	551.90	Calculated Property
η	0.0001987	Pa×s	581.69	Calculated Property
η	0.0001569	Pa×s	611.48	Calculated Property
η	0.0001267	Pa×s	641.27	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 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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