Chemical Properties of Succinic acid, cyclohexylmethyl 2-chloro-4-methylphenyl ester

InChI

InChI=1S/C18H23ClO4/c1-13-7-8-16(15(19)11-13)23-18(21)10-9-17(20)22-12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3

InChI Key

DOEDUUIFKHWHLK-UHFFFAOYSA-N

Formula

C18H23ClO4

SMILES

Cc1ccc(OC(=O)CCC(=O)OCC2CCCCC2)c(Cl)c1

Molecular Weight¹

338.83

• 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°	40.41	kJ/mol	Joback Calculated Property
logPoct/wat	4.458		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Inp	[2564.00; 2564.00]
Inp	2564.00		NIST
Inp	2564.00		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	[343.14; 832.92]	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			-2.06770e+01
Coefficient B			1.53522e+00
Coefficient C			-7.64720e-04
Coefficient D			8.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.14	J/mol×K	273.00	Calculated Property
Cp,gas	430.42	J/mol×K	353.78	Calculated Property
Cp,gas	508.87	J/mol×K	434.56	Calculated Property
Cp,gas	578.76	J/mol×K	515.33	Calculated Property
Cp,gas	640.35	J/mol×K	596.11	Calculated Property
Cp,gas	693.89	J/mol×K	676.89	Calculated Property
Cp,gas	739.66	J/mol×K	757.67	Calculated Property
Cp,gas	777.91	J/mol×K	838.44	Calculated Property
Cp,gas	808.91	J/mol×K	919.22	Calculated Property
Cp,gas	832.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008366; 0.0000802]	Pa×s	[466.04; 731.54]	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			-1.35475e+01
Coefficient B			3.01125e+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.			466.04
Temperature range, max.			731.54
η	0.0008366	Pa×s	466.04	Calculated Property
η	0.0005695	Pa×s	495.54	Calculated Property
η	0.0004048	Pa×s	525.04	Calculated Property
η	0.0002983	Pa×s	554.54	Calculated Property
η	0.0002268	Pa×s	584.04	Calculated Property
η	0.0001770	Pa×s	613.54	Calculated Property
η	0.0001413	Pa×s	643.04	Calculated Property
η	0.0001151	Pa×s	672.54	Calculated Property
η	0.0000953	Pa×s	702.04	Calculated Property
η	0.0000802	Pa×s	731.54	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2-chloro-4-methylphenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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