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

InChI

InChI=1S/C19H25ClO4/c1-3-5-6-10-16(4-2)23-18(21)12-8-13-19(22)24-17-11-7-9-15(20)14-17/h4,7,9,11,14,16H,2-3,5-6,8,10,12-13H2,1H3

InChI Key

PPPPJTBXQPOUGS-UHFFFAOYSA-N

Formula

C19H25ClO4

SMILES

C=CC(CCCCC)OC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

352.85

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.75	kJ/mol	Joback Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
logPoct/wat	5.094		Crippen Calculated Property
McVol	277.630	ml/mol	McGowan Calculated Property
Inp	[2411.00; 2411.00]
Inp	2411.00		NIST
Inp	2411.00		NIST
Tboil	652.19	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, 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	[389.79; 874.51]	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			2.50470e+01
Coefficient B			1.55352e+00
Coefficient C			-8.31260e-04
Coefficient D			1.27200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.79	J/mol×K	273.00	Calculated Property
Cp,gas	476.24	J/mol×K	353.78	Calculated Property
Cp,gas	553.60	J/mol×K	434.56	Calculated Property
Cp,gas	622.28	J/mol×K	515.33	Calculated Property
Cp,gas	682.67	J/mol×K	596.11	Calculated Property
Cp,gas	735.19	J/mol×K	676.89	Calculated Property
Cp,gas	780.23	J/mol×K	757.67	Calculated Property
Cp,gas	818.19	J/mol×K	838.44	Calculated Property
Cp,gas	849.49	J/mol×K	919.22	Calculated Property
Cp,gas	874.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009564; 0.0000705]	Pa×s	[440.65; 713.57]	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			-1.37719e+01
Coefficient B			3.00506e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			440.65
Temperature range, max.			713.57
η	0.0009564	Pa×s	440.65	Calculated Property
η	0.0006165	Pa×s	470.97	Calculated Property
η	0.0004191	Pa×s	501.30	Calculated Property
η	0.0002977	Pa×s	531.62	Calculated Property
η	0.0002195	Pa×s	561.95	Calculated Property
η	0.0001669	Pa×s	592.27	Calculated Property
η	0.0001304	Pa×s	622.59	Calculated Property
η	0.0001042	Pa×s	652.92	Calculated Property
η	0.0000849	Pa×s	683.24	Calculated Property
η	0.0000705	Pa×s	713.57	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, oct-1-en-3-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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