Chemical Properties of Glutaric acid, 2,3-dichlorophenyl but-3-en-1-yl ester

InChI

InChI=1S/C15H16Cl2O4/c1-2-3-10-20-13(18)8-5-9-14(19)21-12-7-4-6-11(16)15(12)17/h2,4,6-7H,1,3,5,8-10H2

InChI Key

QNZRGZSZJXAUSS-UHFFFAOYSA-N

Formula

C15H16Cl2O4

SMILES

C=CCCOC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

331.19

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.72	kJ/mol	Joback Calculated Property
logPoct/wat	4.188		Crippen Calculated Property
McVol	233.510	ml/mol	McGowan Calculated Property
Inp	[2345.00; 2345.00]
Inp	2345.00		NIST
Inp	2345.00		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, 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	[321.21; 672.84]	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			5.75550e+01
Coefficient B			1.11490e+00
Coefficient C			-5.63820e-04
Coefficient D			6.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	321.21	J/mol×K	273.00	Calculated Property
Cp,gas	384.26	J/mol×K	353.78	Calculated Property
Cp,gas	440.84	J/mol×K	434.56	Calculated Property
Cp,gas	491.15	J/mol×K	515.33	Calculated Property
Cp,gas	535.41	J/mol×K	596.11	Calculated Property
Cp,gas	573.80	J/mol×K	676.89	Calculated Property
Cp,gas	606.54	J/mol×K	757.67	Calculated Property
Cp,gas	633.82	J/mol×K	838.44	Calculated Property
Cp,gas	655.85	J/mol×K	919.22	Calculated Property
Cp,gas	672.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008075; 0.0001067]	Pa×s	[453.01; 684.56]	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			-1.31053e+01
Coefficient B			2.71066e+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.			453.01
Temperature range, max.			684.56
η	0.0008075	Pa×s	453.01	Calculated Property
η	0.0005854	Pa×s	478.74	Calculated Property
η	0.0004386	Pa×s	504.47	Calculated Property
η	0.0003379	Pa×s	530.19	Calculated Property
η	0.0002667	Pa×s	555.92	Calculated Property
η	0.0002150	Pa×s	581.65	Calculated Property
η	0.0001765	Pa×s	607.38	Calculated Property
η	0.0001472	Pa×s	633.10	Calculated Property
η	0.0001245	Pa×s	658.83	Calculated Property
η	0.0001067	Pa×s	684.56	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl but-3-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.