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

InChI

InChI=1S/C21H31ClO5/c1-4-5-6-7-8-9-10-16(2)26-20(23)13-14-21(24)27-18-12-11-17(22)15-19(18)25-3/h11-12,15-16H,4-10,13-14H2,1-3H3

InChI Key

QGDBHFJCLWWOKX-UHFFFAOYSA-N

Formula

C21H31ClO5

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

398.92

• 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°	54.01	kJ/mol	Joback Calculated Property
logPoct/wat	5.716		Crippen Calculated Property
McVol	315.980	ml/mol	McGowan Calculated Property
Inp	[2753.00; 2753.00]
Inp	2753.00		NIST
Inp	2753.00		NIST
Tboil	650.17	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	[459.98; 1021.66]	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			6.60190e+01
Coefficient B			1.64086e+00
Coefficient C			-7.39120e-04
Coefficient D			5.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	459.98	J/mol×K	273.00	Calculated Property
Cp,gas	556.40	J/mol×K	353.78	Calculated Property
Cp,gas	643.91	J/mol×K	434.56	Calculated Property
Cp,gas	722.70	J/mol×K	515.33	Calculated Property
Cp,gas	792.93	J/mol×K	596.11	Calculated Property
Cp,gas	854.77	J/mol×K	676.89	Calculated Property
Cp,gas	908.39	J/mol×K	757.67	Calculated Property
Cp,gas	953.97	J/mol×K	838.44	Calculated Property
Cp,gas	991.67	J/mol×K	919.22	Calculated Property
Cp,gas	1021.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004042; 0.0000393]	Pa×s	[499.70; 768.63]	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			-1.44762e+01
Coefficient B			3.32937e+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.			499.70
Temperature range, max.			768.63
η	0.0004042	Pa×s	499.70	Calculated Property
η	0.0002776	Pa×s	529.58	Calculated Property
η	0.0001984	Pa×s	559.46	Calculated Property
η	0.0001467	Pa×s	589.34	Calculated Property
η	0.0001117	Pa×s	619.22	Calculated Property
η	0.0000872	Pa×s	649.10	Calculated Property
η	0.0000696	Pa×s	678.99	Calculated Property
η	0.0000566	Pa×s	708.87	Calculated Property
η	0.0000468	Pa×s	738.75	Calculated Property
η	0.0000393	Pa×s	768.63	Calculated Property

Similar Compounds

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