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

InChI

InChI=1S/C16H19ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-13-6-7-14(17)12(2)11-13/h3,6-7,11H,1,4-5,8-10H2,2H3

InChI Key

DOOVWLPCEAOMLM-UHFFFAOYSA-N

Formula

C16H19ClO4

SMILES

C=CCCCOC(=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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.11	kJ/mol	Joback Calculated Property
logPoct/wat	3.843		Crippen Calculated Property
McVol	235.360	ml/mol	McGowan Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	635.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[329.02; 716.15]	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			4.37550e+01
Coefficient B			1.20312e+00
Coefficient C			-5.97820e-04
Coefficient D			6.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.02	J/mol×K	273.00	Calculated Property
Cp,gas	397.54	J/mol×K	353.78	Calculated Property
Cp,gas	459.19	J/mol×K	434.56	Calculated Property
Cp,gas	514.18	J/mol×K	515.33	Calculated Property
Cp,gas	562.73	J/mol×K	596.11	Calculated Property
Cp,gas	605.04	J/mol×K	676.89	Calculated Property
Cp,gas	641.32	J/mol×K	757.67	Calculated Property
Cp,gas	671.79	J/mol×K	838.44	Calculated Property
Cp,gas	696.67	J/mol×K	919.22	Calculated Property
Cp,gas	716.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009019; 0.0001066]	Pa×s	[434.36; 670.49]	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			-1.30739e+01
Coefficient B			2.63350e+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.			434.36
Temperature range, max.			670.49
η	0.0009019	Pa×s	434.36	Calculated Property
η	0.0006385	Pa×s	460.60	Calculated Property
η	0.0004692	Pa×s	486.83	Calculated Property
η	0.0003558	Pa×s	513.07	Calculated Property
η	0.0002772	Pa×s	539.31	Calculated Property
η	0.0002210	Pa×s	565.54	Calculated Property
η	0.0001798	Pa×s	591.78	Calculated Property
η	0.0001488	Pa×s	618.02	Calculated Property
η	0.0001251	Pa×s	644.25	Calculated Property
η	0.0001066	Pa×s	670.49	Calculated Property

Similar Compounds

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

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