Chemical Properties of Succinic acid, cyclohexylmethyl 4-chlorobenzyl ester

InChI

InChI=1S/C18H23ClO4/c19-16-8-6-15(7-9-16)13-23-18(21)11-10-17(20)22-12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2

InChI Key

ZEYNDNJCMLEROC-UHFFFAOYSA-N

Formula

C18H23ClO4

SMILES

O=C(CCC(=O)OCC1CCCCC1)OCc1ccc(Cl)cc1

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°	40.80	kJ/mol	Joback Calculated Property
logPoct/wat	4.287		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Inp	[2608.00; 2608.00]
Inp	2608.00		NIST
Inp	2608.00		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	[340.58; 835.96]	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			-3.49760e+01
Coefficient B			1.59470e+00
Coefficient C			-8.31760e-04
Coefficient D			1.08000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.58	J/mol×K	273.00	Calculated Property
Cp,gas	429.87	J/mol×K	353.78	Calculated Property
Cp,gas	509.80	J/mol×K	434.56	Calculated Property
Cp,gas	580.72	J/mol×K	515.33	Calculated Property
Cp,gas	642.96	J/mol×K	596.11	Calculated Property
Cp,gas	696.86	J/mol×K	676.89	Calculated Property
Cp,gas	742.77	J/mol×K	757.67	Calculated Property
Cp,gas	781.03	J/mol×K	838.44	Calculated Property
Cp,gas	811.98	J/mol×K	919.22	Calculated Property
Cp,gas	835.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010192; 0.0000801]	Pa×s	[453.52; 727.53]	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			-1.36415e+01
Coefficient B			3.06251e+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.			453.52
Temperature range, max.			727.53
η	0.0010192	Pa×s	453.52	Calculated Property
η	0.0006664	Pa×s	483.97	Calculated Property
η	0.0004583	Pa×s	514.41	Calculated Property
η	0.0003286	Pa×s	544.86	Calculated Property
η	0.0002440	Pa×s	575.30	Calculated Property
η	0.0001867	Pa×s	605.75	Calculated Property
η	0.0001466	Pa×s	636.20	Calculated Property
η	0.0001177	Pa×s	666.64	Calculated Property
η	0.0000963	Pa×s	697.09	Calculated Property
η	0.0000801	Pa×s	727.53	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 4-chlorobenzyl 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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