Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl pent-4-en-2-yl ester

InChI

InChI=1S/C16H19ClO4/c1-4-5-12(3)20-15(18)8-9-16(19)21-13-6-7-14(17)11(2)10-13/h4,6-7,10,12H,1,5,8-9H2,2-3H3

InChI Key

KGHVXEJBUKAHJP-UHFFFAOYSA-N

Formula

C16H19ClO4

SMILES

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

Molecular Weight¹

310.77

• 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°	38.59	kJ/mol	Joback Calculated Property
logPoct/wat	3.842		Crippen Calculated Property
McVol	235.360	ml/mol	McGowan Calculated Property
Inp	[2168.00; 2168.00]
Inp	2168.00		NIST
Inp	2168.00		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	[328.70; 716.69]	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			4.20730e+01
Coefficient B			1.20904e+00
Coefficient C			-6.01020e-04
Coefficient D			6.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.70	J/mol×K	273.00	Calculated Property
Cp,gas	397.53	J/mol×K	353.78	Calculated Property
Cp,gas	459.44	J/mol×K	434.56	Calculated Property
Cp,gas	514.63	J/mol×K	515.33	Calculated Property
Cp,gas	563.33	J/mol×K	596.11	Calculated Property
Cp,gas	605.74	J/mol×K	676.89	Calculated Property
Cp,gas	642.07	J/mol×K	757.67	Calculated Property
Cp,gas	672.53	J/mol×K	838.44	Calculated Property
Cp,gas	697.34	J/mol×K	919.22	Calculated Property
Cp,gas	716.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010723; 0.0000976]	Pa×s	[419.36; 672.34]	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			-1.32079e+01
Coefficient B			2.67132e+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.			419.36
Temperature range, max.			672.34
η	0.0010723	Pa×s	419.36	Calculated Property
η	0.0007187	Pa×s	447.47	Calculated Property
η	0.0005050	Pa×s	475.58	Calculated Property
η	0.0003691	Pa×s	503.69	Calculated Property
η	0.0002789	Pa×s	531.79	Calculated Property
η	0.0002167	Pa×s	559.90	Calculated Property
η	0.0001725	Pa×s	588.01	Calculated Property
η	0.0001402	Pa×s	616.12	Calculated Property
η	0.0001161	Pa×s	644.23	Calculated Property
η	0.0000976	Pa×s	672.34	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl pent-4-en-2-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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