Chemical Properties of Succinic acid, dec-2-yl 3-chlorophenyl ester

InChI

InChI=1S/C20H29ClO4/c1-3-4-5-6-7-8-10-16(2)24-19(22)13-14-20(23)25-18-12-9-11-17(21)15-18/h9,11-12,15-16H,3-8,10,13-14H2,1-2H3

InChI Key

OGDWMURVAVWVBG-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

368.90

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	50.62	kJ/mol	Joback Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-6.06		Relay (1.0) Calculated Property
logPoct/wat	5.708		Crippen Calculated Property
McVol	296.020	ml/mol	McGowan Calculated Property
Inp	[2561.00; 2561.00]
Inp	2561.00		NIST
Inp	2561.00		NIST
Tboil	636.33	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 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	[420.82; 954.61]	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			2.71290e+01
Coefficient B			1.66854e+00
Coefficient C			-8.62760e-04
Coefficient D			1.21700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.82	J/mol×K	273.00	Calculated Property
Cp,gas	514.83	J/mol×K	353.78	Calculated Property
Cp,gas	599.27	J/mol×K	434.56	Calculated Property
Cp,gas	674.52	J/mol×K	515.33	Calculated Property
Cp,gas	740.96	J/mol×K	596.11	Calculated Property
Cp,gas	798.99	J/mol×K	676.89	Calculated Property
Cp,gas	848.98	J/mol×K	757.67	Calculated Property
Cp,gas	891.33	J/mol×K	838.44	Calculated Property
Cp,gas	926.41	J/mol×K	919.22	Calculated Property
Cp,gas	954.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008346; 0.0000593]	Pa×s	[453.68; 730.73]	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			-1.40635e+01
Coefficient B			3.16438e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			453.68
Temperature range, max.			730.73
η	0.0008346	Pa×s	453.68	Calculated Property
η	0.0005358	Pa×s	484.46	Calculated Property
η	0.0003627	Pa×s	515.25	Calculated Property
η	0.0002565	Pa×s	546.03	Calculated Property
η	0.0001883	Pa×s	576.81	Calculated Property
η	0.0001426	Pa×s	607.60	Calculated Property
η	0.0001109	Pa×s	638.38	Calculated Property
η	0.0000883	Pa×s	669.16	Calculated Property
η	0.0000717	Pa×s	699.95	Calculated Property
η	0.0000593	Pa×s	730.73	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 3-chlorophenyl 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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