Chemical Properties of Succinic acid, cyclohexylmethyl 3-chlorophenyl ester

InChI

InChI=1S/C17H21ClO4/c18-14-7-4-8-15(11-14)22-17(20)10-9-16(19)21-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12H2

InChI Key

RQLJLLQTXFWGOJ-UHFFFAOYSA-N

Formula

C17H21ClO4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1)OCC1CCCCC1

Molecular Weight¹

324.80

• 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).
• IE : Ionization energy (eV).
• 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°	38.21	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
logPoct/wat	4.149		Crippen Calculated Property
McVol	242.890	ml/mol	McGowan Calculated Property
Inp	[2475.00; 2475.00]
Inp	2475.00		NIST
Inp	2475.00		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, 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	[319.37; 784.37]	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			-3.40670e+01
Coefficient B			1.49970e+00
Coefficient C			-7.77360e-04
Coefficient D			9.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.37	J/mol×K	273.00	Calculated Property
Cp,gas	403.46	J/mol×K	353.78	Calculated Property
Cp,gas	478.73	J/mol×K	434.56	Calculated Property
Cp,gas	545.49	J/mol×K	515.33	Calculated Property
Cp,gas	604.04	J/mol×K	596.11	Calculated Property
Cp,gas	654.70	J/mol×K	676.89	Calculated Property
Cp,gas	697.75	J/mol×K	757.67	Calculated Property
Cp,gas	733.52	J/mol×K	838.44	Calculated Property
Cp,gas	762.29	J/mol×K	919.22	Calculated Property
Cp,gas	784.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011444; 0.0000892]	Pa×s	[442.25; 713.53]	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			-1.34848e+01
Coefficient B			2.96835e+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.			442.25
Temperature range, max.			713.53
η	0.0011444	Pa×s	442.25	Calculated Property
η	0.0007457	Pa×s	472.39	Calculated Property
η	0.0005116	Pa×s	502.54	Calculated Property
η	0.0003662	Pa×s	532.68	Calculated Property
η	0.0002717	Pa×s	562.82	Calculated Property
η	0.0002078	Pa×s	592.96	Calculated Property
η	0.0001631	Pa×s	623.11	Calculated Property
η	0.0001309	Pa×s	653.25	Calculated Property
η	0.0001072	Pa×s	683.39	Calculated Property
η	0.0000892	Pa×s	713.53	Calculated Property

Similar Compounds

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