Chemical Properties of Succinic acid, cyclohexylmethyl 3,5-dichlorophenyl ester

InChI

InChI=1S/C17H20Cl2O4/c18-13-8-14(19)10-15(9-13)23-17(21)7-6-16(20)22-11-12-4-2-1-3-5-12/h8-10,12H,1-7,11H2

InChI Key

UAEUYISGIWQFCH-UHFFFAOYSA-N

Formula

C17H20Cl2O4

SMILES

O=C(CCC(=O)Oc1cc(Cl)cc(Cl)c1)OCC1CCCCC1

Molecular Weight¹

359.25

• 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°	42.02	kJ/mol	Joback Calculated Property
logPoct/wat	4.803		Crippen Calculated Property
McVol	255.130	ml/mol	McGowan Calculated Property
Inp	[2601.00; 2601.00]
Inp	2601.00		NIST
Inp	2601.00		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	[335.33; 789.60]	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			-6.87700e+00
Coefficient B			1.44700e+00
Coefficient C			-7.30720e-04
Coefficient D			8.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.33	J/mol×K	273.00	Calculated Property
Cp,gas	417.13	J/mol×K	353.78	Calculated Property
Cp,gas	490.52	J/mol×K	434.56	Calculated Property
Cp,gas	555.73	J/mol×K	515.33	Calculated Property
Cp,gas	613.02	J/mol×K	596.11	Calculated Property
Cp,gas	662.65	J/mol×K	676.89	Calculated Property
Cp,gas	704.87	J/mol×K	757.67	Calculated Property
Cp,gas	739.94	J/mol×K	838.44	Calculated Property
Cp,gas	768.09	J/mol×K	919.22	Calculated Property
Cp,gas	789.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007376; 0.0000793]	Pa×s	[484.69; 745.71]	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			-1.35840e+01
Coefficient B			3.08841e+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.			484.69
Temperature range, max.			745.71
η	0.0007376	Pa×s	484.69	Calculated Property
η	0.0005148	Pa×s	513.69	Calculated Property
η	0.0003733	Pa×s	542.69	Calculated Property
η	0.0002797	Pa×s	571.70	Calculated Property
η	0.0002155	Pa×s	600.70	Calculated Property
η	0.0001700	Pa×s	629.70	Calculated Property
η	0.0001370	Pa×s	658.70	Calculated Property
η	0.0001124	Pa×s	687.71	Calculated Property
η	0.0000938	Pa×s	716.71	Calculated Property
η	0.0000793	Pa×s	745.71	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3,5-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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