Chemical Properties of (E)-Dodec-2-enyl 3-chlorobenzoate

InChI

InChI=1S/C19H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-15-22-19(21)17-13-12-14-18(20)16-17/h10-14,16H,2-9,15H2,1H3/b11-10+

InChI Key

FNGCCVRQRRRMQZ-ZHACJKMWSA-N

Formula

C19H27ClO2

SMILES

CCCCCCCCCC=CCOC(=O)c1cccc(Cl)c1

Molecular Weight¹

322.87

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[369.58; 863.79]	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			-9.87100e+00
Coefficient B			1.64242e+00
Coefficient C			-9.83560e-04
Coefficient D			2.14800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.58	J/mol×K	273.00	Calculated Property
Cp,gas	457.59	J/mol×K	353.78	Calculated Property
Cp,gas	535.74	J/mol×K	434.56	Calculated Property
Cp,gas	604.72	J/mol×K	515.33	Calculated Property
Cp,gas	665.19	J/mol×K	596.11	Calculated Property
Cp,gas	717.84	J/mol×K	676.89	Calculated Property
Cp,gas	763.34	J/mol×K	757.67	Calculated Property
Cp,gas	802.38	J/mol×K	838.44	Calculated Property
Cp,gas	835.64	J/mol×K	919.22	Calculated Property
Cp,gas	863.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011192; 0.0000909]	Pa×s	[410.00; 675.51]	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			-1.31827e+01
Coefficient B			2.61892e+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.			410.00
Temperature range, max.			675.51
η	0.0011192	Pa×s	410.00	Calculated Property
η	0.0007290	Pa×s	439.50	Calculated Property
η	0.0005011	Pa×s	469.00	Calculated Property
η	0.0003601	Pa×s	498.50	Calculated Property
η	0.0002685	Pa×s	528.01	Calculated Property
η	0.0002065	Pa×s	557.51	Calculated Property
η	0.0001631	Pa×s	587.01	Calculated Property
η	0.0001317	Pa×s	616.51	Calculated Property
η	0.0001085	Pa×s	646.01	Calculated Property
η	0.0000909	Pa×s	675.51	Calculated Property

Similar Compounds

Find more compounds similar to (E)-Dodec-2-enyl 3-chlorobenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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