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

InChI

InChI=1S/C15H17ClO4/c1-3-4-9-19-14(17)7-8-15(18)20-12-5-6-13(16)11(2)10-12/h3,5-6,10H,1,4,7-9H2,2H3

InChI Key

NCHKAOKOADHIRM-UHFFFAOYSA-N

Formula

C15H17ClO4

SMILES

C=CCCOC(=O)CCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

296.75

• 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°	39.52	kJ/mol	Joback Calculated Property
logPoct/wat	3.453		Crippen Calculated Property
McVol	221.270	ml/mol	McGowan Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		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	[307.80; 664.56]	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			4.46640e+01
Coefficient B			1.10812e+00
Coefficient C			-5.43420e-04
Coefficient D			5.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.80	J/mol×K	273.00	Calculated Property
Cp,gas	371.12	J/mol×K	353.78	Calculated Property
Cp,gas	428.11	J/mol×K	434.56	Calculated Property
Cp,gas	478.95	J/mol×K	515.33	Calculated Property
Cp,gas	523.82	J/mol×K	596.11	Calculated Property
Cp,gas	562.87	J/mol×K	676.89	Calculated Property
Cp,gas	596.30	J/mol×K	757.67	Calculated Property
Cp,gas	624.28	J/mol×K	838.44	Calculated Property
Cp,gas	646.97	J/mol×K	919.22	Calculated Property
Cp,gas	664.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009886; 0.0001174]	Pa×s	[423.09; 655.95]	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			-1.29211e+01
Coefficient B			2.53934e+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.			423.09
Temperature range, max.			655.95
η	0.0009886	Pa×s	423.09	Calculated Property
η	0.0006995	Pa×s	448.96	Calculated Property
η	0.0005140	Pa×s	474.84	Calculated Property
η	0.0003899	Pa×s	500.71	Calculated Property
η	0.0003039	Pa×s	526.58	Calculated Property
η	0.0002425	Pa×s	552.46	Calculated Property
η	0.0001974	Pa×s	578.33	Calculated Property
η	0.0001636	Pa×s	604.20	Calculated Property
η	0.0001376	Pa×s	630.07	Calculated Property
η	0.0001174	Pa×s	655.95	Calculated Property

Similar Compounds

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

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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