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

InChI

InChI=1S/C13H19Cl3O4/c14-13(15,16)9-20-12(18)7-6-11(17)19-8-10-4-2-1-3-5-10/h10H,1-9H2

InChI Key

BRZJJHSFYXYVSL-UHFFFAOYSA-N

Formula

C13H19Cl3O4

SMILES

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

Molecular Weight¹

345.65

• 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°	35.18	kJ/mol	Joback Calculated Property
logPoct/wat	3.803		Crippen Calculated Property
McVol	234.770	ml/mol	McGowan Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		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	[314.57; 717.58]	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			-9.51600e+00
Coefficient B			1.39750e+00
Coefficient C			-8.08200e-04
Coefficient D			1.37800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.57	J/mol×K	273.00	Calculated Property
Cp,gas	389.84	J/mol×K	353.78	Calculated Property
Cp,gas	456.46	J/mol×K	434.56	Calculated Property
Cp,gas	514.89	J/mol×K	515.33	Calculated Property
Cp,gas	565.55	J/mol×K	596.11	Calculated Property
Cp,gas	608.87	J/mol×K	676.89	Calculated Property
Cp,gas	645.30	J/mol×K	757.67	Calculated Property
Cp,gas	675.28	J/mol×K	838.44	Calculated Property
Cp,gas	699.22	J/mol×K	919.22	Calculated Property
Cp,gas	717.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017195; 0.0001000]	Pa×s	[420.49; 672.37]	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			-1.39586e+01
Coefficient B			3.19273e+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.			420.49
Temperature range, max.			672.37
η	0.0017195	Pa×s	420.49	Calculated Property
η	0.0010706	Pa×s	448.48	Calculated Property
η	0.0007047	Pa×s	476.46	Calculated Property
η	0.0004859	Pa×s	504.45	Calculated Property
η	0.0003484	Pa×s	532.44	Calculated Property
η	0.0002582	Pa×s	560.43	Calculated Property
η	0.0001969	Pa×s	588.41	Calculated Property
η	0.0001539	Pa×s	616.40	Calculated Property
η	0.0001229	Pa×s	644.39	Calculated Property
η	0.0001000	Pa×s	672.37	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2,2,2-trichloroethyl 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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