Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 4-octyl ester

InChI

InChI=1S/C19H27ClO4/c1-4-6-8-15(7-5-2)23-18(21)11-12-19(22)24-16-9-10-17(20)14(3)13-16/h9-10,13,15H,4-8,11-12H2,1-3H3

InChI Key

UNIDQPDTLJCZAB-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCCC(CCC)OC(=O)CCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

354.87

• 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°	47.64	kJ/mol	Joback Calculated Property
logPoct/wat	5.236		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Inp	[2433.00; 2433.00]
Inp	2433.00		NIST
Inp	2433.00		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	[402.15; 899.98]	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			4.23370e+01
Coefficient B			1.51406e+00
Coefficient C			-7.41320e-04
Coefficient D			8.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	402.15	J/mol×K	273.00	Calculated Property
Cp,gas	488.95	J/mol×K	353.78	Calculated Property
Cp,gas	567.26	J/mol×K	434.56	Calculated Property
Cp,gas	637.33	J/mol×K	515.33	Calculated Property
Cp,gas	699.44	J/mol×K	596.11	Calculated Property
Cp,gas	753.86	J/mol×K	676.89	Calculated Property
Cp,gas	800.86	J/mol×K	757.67	Calculated Property
Cp,gas	840.69	J/mol×K	838.44	Calculated Property
Cp,gas	873.64	J/mol×K	919.22	Calculated Property
Cp,gas	899.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007669; 0.0000672]	Pa×s	[454.93; 718.60]	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			-1.38092e+01
Coefficient B			3.01896e+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.			454.93
Temperature range, max.			718.60
η	0.0007669	Pa×s	454.93	Calculated Property
η	0.0005133	Pa×s	484.23	Calculated Property
η	0.0003597	Pa×s	513.52	Calculated Property
η	0.0002619	Pa×s	542.82	Calculated Property
η	0.0001970	Pa×s	572.12	Calculated Property
η	0.0001523	Pa×s	601.42	Calculated Property
η	0.0001206	Pa×s	630.71	Calculated Property
η	0.0000976	Pa×s	660.01	Calculated Property
η	0.0000803	Pa×s	689.31	Calculated Property
η	0.0000672	Pa×s	718.60	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 4-octyl 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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