Chemical Properties of Glutaric acid, hex-4-en-1-yl 3-chlorophenyl ester

InChI

InChI=1S/C17H21ClO4/c1-2-3-4-5-12-21-16(19)10-7-11-17(20)22-15-9-6-8-14(18)13-15/h2-3,6,8-9,13H,4-5,7,10-12H2,1H3/b3-2+

InChI Key

HWKPURINCFHHTK-NSCUHMNNSA-N

Formula

C17H21ClO4

SMILES

CC=CCCCOC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

324.80

• 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°	46.57	kJ/mol	Joback Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
logPoct/wat	4.315		Crippen Calculated Property
McVol	249.450	ml/mol	McGowan Calculated Property
Inp	[2348.00; 2348.00]
Inp	2348.00		NIST
Inp	2348.00		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	[343.49; 768.72]	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			1.73560e+01
Coefficient B			1.39762e+00
Coefficient C			-7.80160e-04
Coefficient D			1.33900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.49	J/mol×K	273.00	Calculated Property
Cp,gas	420.09	J/mol×K	353.78	Calculated Property
Cp,gas	488.36	J/mol×K	434.56	Calculated Property
Cp,gas	548.74	J/mol×K	515.33	Calculated Property
Cp,gas	601.63	J/mol×K	596.11	Calculated Property
Cp,gas	647.46	J/mol×K	676.89	Calculated Property
Cp,gas	686.67	J/mol×K	757.67	Calculated Property
Cp,gas	719.66	J/mol×K	838.44	Calculated Property
Cp,gas	746.87	J/mol×K	919.22	Calculated Property
Cp,gas	768.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009269; 0.0000786]	Pa×s	[429.79; 688.84]	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			-1.35458e+01
Coefficient B			2.82032e+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.			429.79
Temperature range, max.			688.84
η	0.0009269	Pa×s	429.79	Calculated Property
η	0.0006140	Pa×s	458.57	Calculated Property
η	0.0004270	Pa×s	487.36	Calculated Property
η	0.0003092	Pa×s	516.14	Calculated Property
η	0.0002317	Pa×s	544.93	Calculated Property
η	0.0001787	Pa×s	573.71	Calculated Property
η	0.0001413	Pa×s	602.49	Calculated Property
η	0.0001141	Pa×s	631.28	Calculated Property
η	0.0000939	Pa×s	660.06	Calculated Property
η	0.0000786	Pa×s	688.84	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-en-1-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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