Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl oct-1-en-3-yl ester

InChI

InChI=1S/C19H25ClO4/c1-4-6-7-8-15(5-2)23-18(21)11-12-19(22)24-16-9-10-17(20)14(3)13-16/h5,9-10,13,15H,2,4,6-8,11-12H2,1,3H3

InChI Key

PIMDWENCXPFRBC-UHFFFAOYSA-N

Formula

C19H25ClO4

SMILES

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

Molecular Weight¹

352.86

• 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°	46.36	kJ/mol	Joback Calculated Property
logPoct/wat	5.012		Crippen Calculated Property
McVol	277.630	ml/mol	McGowan Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		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	[392.34; 871.47]	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			3.93460e+01
Coefficient B			1.49404e+00
Coefficient C			-7.64220e-04
Coefficient D			1.02300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.34	J/mol×K	273.00	Calculated Property
Cp,gas	476.79	J/mol×K	353.78	Calculated Property
Cp,gas	552.67	J/mol×K	434.56	Calculated Property
Cp,gas	620.32	J/mol×K	515.33	Calculated Property
Cp,gas	680.07	J/mol×K	596.11	Calculated Property
Cp,gas	732.22	J/mol×K	676.89	Calculated Property
Cp,gas	777.12	J/mol×K	757.67	Calculated Property
Cp,gas	815.07	J/mol×K	838.44	Calculated Property
Cp,gas	846.42	J/mol×K	919.22	Calculated Property
Cp,gas	871.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007772; 0.0000704]	Pa×s	[453.17; 717.62]	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			-1.36779e+01
Coefficient B			2.95380e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			453.17
Temperature range, max.			717.62
η	0.0007772	Pa×s	453.17	Calculated Property
η	0.0005226	Pa×s	482.55	Calculated Property
η	0.0003678	Pa×s	511.94	Calculated Property
η	0.0002689	Pa×s	541.32	Calculated Property
η	0.0002030	Pa×s	570.71	Calculated Property
η	0.0001576	Pa×s	600.09	Calculated Property
η	0.0001252	Pa×s	629.47	Calculated Property
η	0.0001016	Pa×s	658.86	Calculated Property
η	0.0000839	Pa×s	688.24	Calculated Property
η	0.0000704	Pa×s	717.62	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl oct-1-en-3-yl 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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