Chemical Properties of 4-Chlorobenzoic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C15H19ClO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h6-12H,3-5H2,1-2H3/b7-6+

InChI Key

CKYPWBNNZZHCOB-VOTSOKGWSA-N

Formula

C15H19ClO2

SMILES

CCCCC=CC(C)OC(=O)c1ccc(Cl)cc1

Molecular Weight¹

266.76

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[284.41; 657.96]	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			-7.91700e+00
Coefficient B			1.26834e+00
Coefficient C			-7.69160e-04
Coefficient D			1.66700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.41	J/mol×K	273.00	Calculated Property
Cp,gas	351.91	J/mol×K	353.78	Calculated Property
Cp,gas	411.68	J/mol×K	434.56	Calculated Property
Cp,gas	464.25	J/mol×K	515.33	Calculated Property
Cp,gas	510.15	J/mol×K	596.11	Calculated Property
Cp,gas	549.90	J/mol×K	676.89	Calculated Property
Cp,gas	584.02	J/mol×K	757.67	Calculated Property
Cp,gas	613.06	J/mol×K	838.44	Calculated Property
Cp,gas	637.53	J/mol×K	919.22	Calculated Property
Cp,gas	657.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020385; 0.0001196]	Pa×s	[349.92; 619.50]	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			-1.27116e+01
Coefficient B			2.28010e+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.			349.92
Temperature range, max.			619.50
η	0.0020385	Pa×s	349.92	Calculated Property
η	0.0012195	Pa×s	379.87	Calculated Property
η	0.0007864	Pa×s	409.83	Calculated Property
η	0.0005384	Pa×s	439.78	Calculated Property
η	0.0003868	Pa×s	469.73	Calculated Property
η	0.0002892	Pa×s	499.69	Calculated Property
η	0.0002234	Pa×s	529.64	Calculated Property
η	0.0001774	Pa×s	559.59	Calculated Property
η	0.0001442	Pa×s	589.54	Calculated Property
η	0.0001196	Pa×s	619.50	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzoic acid, oct-3-en-2-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.