Chemical Properties of Glutaric acid, but-3-en-2-yl 3-chlorophenyl ester

InChI

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

InChI Key

AKESMPCJYGAJAN-UHFFFAOYSA-N

Formula

C15H17ClO4

SMILES

C=CC(C)OC(=O)CCCC(=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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	36.39	kJ/mol	Joback Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	3.533		Crippen Calculated Property
McVol	221.270	ml/mol	McGowan Calculated Property
Inp	[2025.00; 2025.00]
Inp	2025.00		NIST
Inp	2025.00		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 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	[304.94; 668.14]	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			2.86830e+01
Coefficient B			1.17352e+00
Coefficient C			-6.13660e-04
Coefficient D			7.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.94	J/mol×K	273.00	Calculated Property
Cp,gas	370.57	J/mol×K	353.78	Calculated Property
Cp,gas	429.29	J/mol×K	434.56	Calculated Property
Cp,gas	481.36	J/mol×K	515.33	Calculated Property
Cp,gas	527.03	J/mol×K	596.11	Calculated Property
Cp,gas	566.55	J/mol×K	676.89	Calculated Property
Cp,gas	600.16	J/mol×K	757.67	Calculated Property
Cp,gas	628.14	J/mol×K	838.44	Calculated Property
Cp,gas	650.71	J/mol×K	919.22	Calculated Property
Cp,gas	668.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014967; 0.0001084]	Pa×s	[395.57; 653.95]	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			-1.31491e+01
Coefficient B			2.62842e+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.			395.57
Temperature range, max.			653.95
η	0.0014967	Pa×s	395.57	Calculated Property
η	0.0009547	Pa×s	424.28	Calculated Property
η	0.0006447	Pa×s	452.99	Calculated Property
η	0.0004562	Pa×s	481.70	Calculated Property
η	0.0003357	Pa×s	510.40	Calculated Property
η	0.0002552	Pa×s	539.11	Calculated Property
η	0.0001994	Pa×s	567.82	Calculated Property
η	0.0001596	Pa×s	596.53	Calculated Property
η	0.0001304	Pa×s	625.24	Calculated Property
η	0.0001084	Pa×s	653.95	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl 3-chlorophenyl 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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