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

InChI

InChI=1S/C15H17ClO4/c1-2-3-4-10-19-14(17)8-9-15(18)20-13-7-5-6-12(16)11-13/h2,5-7,11H,1,3-4,8-10H2

InChI Key

PYWMWUXLGGGAQY-UHFFFAOYSA-N

Formula

C15H17ClO4

SMILES

C=CCCCOC(=O)CCC(=O)Oc1cccc(Cl)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).
• IE : Ionization energy (eV).
• 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°	39.91	kJ/mol	Joback Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
logPoct/wat	3.535		Crippen Calculated Property
McVol	221.270	ml/mol	McGowan Calculated Property
Inp	[2131.00; 2131.00]
Inp	2131.00		NIST
Inp	2131.00		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, 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	[305.25; 667.61]	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			3.03650e+01
Coefficient B			1.16760e+00
Coefficient C			-6.10460e-04
Coefficient D			8.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.25	J/mol×K	273.00	Calculated Property
Cp,gas	370.58	J/mol×K	353.78	Calculated Property
Cp,gas	429.05	J/mol×K	434.56	Calculated Property
Cp,gas	480.91	J/mol×K	515.33	Calculated Property
Cp,gas	526.43	J/mol×K	596.11	Calculated Property
Cp,gas	565.84	J/mol×K	676.89	Calculated Property
Cp,gas	599.42	J/mol×K	757.67	Calculated Property
Cp,gas	627.40	J/mol×K	838.44	Calculated Property
Cp,gas	650.04	J/mol×K	919.22	Calculated Property
Cp,gas	667.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012243; 0.0001184]	Pa×s	[410.57; 651.90]	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			-1.30151e+01
Coefficient B			2.59060e+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.			410.57
Temperature range, max.			651.90
η	0.0012243	Pa×s	410.57	Calculated Property
η	0.0008316	Pa×s	437.38	Calculated Property
η	0.0005906	Pa×s	464.20	Calculated Property
η	0.0004355	Pa×s	491.01	Calculated Property
η	0.0003314	Pa×s	517.83	Calculated Property
η	0.0002590	Pa×s	544.64	Calculated Property
η	0.0002072	Pa×s	571.45	Calculated Property
η	0.0001691	Pa×s	598.27	Calculated Property
η	0.0001404	Pa×s	625.08	Calculated Property
η	0.0001184	Pa×s	651.90	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl 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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