Chemical Properties of Succinic acid, 3-chlorophenyl hex-5-en-1-yl ester

InChI

InChI=1S/C16H19ClO4/c1-2-3-4-5-11-20-15(18)9-10-16(19)21-14-8-6-7-13(17)12-14/h2,6-8,12H,1,3-5,9-11H2

InChI Key

SDCSWBKWDCOCGA-UHFFFAOYSA-N

Formula

C16H19ClO4

SMILES

C=CCCCCOC(=O)CCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

310.77

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.50	kJ/mol	Joback Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
logPoct/wat	3.925		Crippen Calculated Property
McVol	235.360	ml/mol	McGowan Calculated Property
Inp	[2284.00; 2284.00]
Inp	2284.00		NIST
Inp	2284.00		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, 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	[326.47; 719.20]	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			2.94560e+01
Coefficient B			1.26260e+00
Coefficient C			-6.64860e-04
Coefficient D			9.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.47	J/mol×K	273.00	Calculated Property
Cp,gas	397.00	J/mol×K	353.78	Calculated Property
Cp,gas	460.12	J/mol×K	434.56	Calculated Property
Cp,gas	516.14	J/mol×K	515.33	Calculated Property
Cp,gas	565.34	J/mol×K	596.11	Calculated Property
Cp,gas	608.00	J/mol×K	676.89	Calculated Property
Cp,gas	644.43	J/mol×K	757.67	Calculated Property
Cp,gas	674.91	J/mol×K	838.44	Calculated Property
Cp,gas	699.74	J/mol×K	919.22	Calculated Property
Cp,gas	719.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011099; 0.0001073]	Pa×s	[421.84; 666.44]	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			-1.31679e+01
Coefficient B			2.68476e+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.			421.84
Temperature range, max.			666.44
η	0.0011099	Pa×s	421.84	Calculated Property
η	0.0007550	Pa×s	449.02	Calculated Property
η	0.0005367	Pa×s	476.20	Calculated Property
η	0.0003959	Pa×s	503.37	Calculated Property
η	0.0003012	Pa×s	530.55	Calculated Property
η	0.0002354	Pa×s	557.73	Calculated Property
η	0.0001882	Pa×s	584.91	Calculated Property
η	0.0001535	Pa×s	612.09	Calculated Property
η	0.0001274	Pa×s	639.26	Calculated Property
η	0.0001073	Pa×s	666.44	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl hex-5-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

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