Chemical Properties of Succinic acid, phenyl 6-chlorohexyl ester

InChI

InChI=1S/C16H21ClO4/c17-12-6-1-2-7-13-20-15(18)10-11-16(19)21-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2

InChI Key

SHAHIVFCWMQQOK-UHFFFAOYSA-N

Formula

C16H21ClO4

SMILES

O=C(CCC(=O)Oc1ccccc1)OCCCCCCCl

Molecular Weight¹

312.79

• 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	[333.72; 750.75]	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			1.81480e+01
Coefficient B			1.34210e+00
Coefficient C			-7.09000e-04
Coefficient D			9.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.72	J/mol×K	273.00	Calculated Property
Cp,gas	408.62	J/mol×K	353.78	Calculated Property
Cp,gas	475.64	J/mol×K	434.56	Calculated Property
Cp,gas	535.11	J/mol×K	515.33	Calculated Property
Cp,gas	587.32	J/mol×K	596.11	Calculated Property
Cp,gas	632.61	J/mol×K	676.89	Calculated Property
Cp,gas	671.28	J/mol×K	757.67	Calculated Property
Cp,gas	703.65	J/mol×K	838.44	Calculated Property
Cp,gas	730.04	J/mol×K	919.22	Calculated Property
Cp,gas	750.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013903; 0.0001045]	Pa×s	[411.08; 662.77]	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			-1.33925e+01
Coefficient B			2.80118e+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.			411.08
Temperature range, max.			662.77
η	0.0013903	Pa×s	411.08	Calculated Property
η	0.0009007	Pa×s	439.05	Calculated Property
η	0.0006147	Pa×s	467.01	Calculated Property
η	0.0004380	Pa×s	494.98	Calculated Property
η	0.0003236	Pa×s	522.94	Calculated Property
η	0.0002466	Pa×s	550.91	Calculated Property
η	0.0001929	Pa×s	578.88	Calculated Property
η	0.0001543	Pa×s	606.84	Calculated Property
η	0.0001259	Pa×s	634.81	Calculated Property
η	0.0001045	Pa×s	662.77	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, phenyl 6-chlorohexyl 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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