Chemical Properties of Succinic acid, dec-2-yl 4-chlorobenzyl ester

InChI

InChI=1S/C21H31ClO4/c1-3-4-5-6-7-8-9-17(2)26-21(24)15-14-20(23)25-16-18-10-12-19(22)13-11-18/h10-13,17H,3-9,14-16H2,1-2H3

InChI Key

CKUKUWFNCQURLC-UHFFFAOYSA-N

Formula

C21H31ClO4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

382.92

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	53.21	kJ/mol	Joback Calculated Property
logPoct/wat	5.846		Crippen Calculated Property
McVol	310.110	ml/mol	McGowan Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	646.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[442.03; 1006.20]	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			2.62200e+01
Coefficient B			1.76354e+00
Coefficient C			-9.17160e-04
Coefficient D			1.33600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	442.03	J/mol×K	273.00	Calculated Property
Cp,gas	541.25	J/mol×K	353.78	Calculated Property
Cp,gas	630.34	J/mol×K	434.56	Calculated Property
Cp,gas	709.75	J/mol×K	515.33	Calculated Property
Cp,gas	779.87	J/mol×K	596.11	Calculated Property
Cp,gas	841.15	J/mol×K	676.89	Calculated Property
Cp,gas	894.00	J/mol×K	757.67	Calculated Property
Cp,gas	938.84	J/mol×K	838.44	Calculated Property
Cp,gas	976.10	J/mol×K	919.22	Calculated Property
Cp,gas	1006.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007342; 0.0000519]	Pa×s	[464.95; 747.42]	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			-1.42252e+01
Coefficient B			3.25854e+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.			464.95
Temperature range, max.			747.42
η	0.0007342	Pa×s	464.95	Calculated Property
η	0.0004713	Pa×s	496.34	Calculated Property
η	0.0003190	Pa×s	527.72	Calculated Property
η	0.0002255	Pa×s	559.11	Calculated Property
η	0.0001655	Pa×s	590.49	Calculated Property
η	0.0001252	Pa×s	621.88	Calculated Property
η	0.0000974	Pa×s	653.26	Calculated Property
η	0.0000775	Pa×s	684.65	Calculated Property
η	0.0000629	Pa×s	716.04	Calculated Property
η	0.0000519	Pa×s	747.42	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 4-chlorobenzyl 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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