Chemical Properties of Succinic acid, 2,2-dichloroethyl neopentyl ester

InChI

InChI=1S/C11H18Cl2O4/c1-11(2,3)7-17-10(15)5-4-9(14)16-6-8(12)13/h8H,4-7H2,1-3H3

InChI Key

KYTJDDFPQLHXAC-UHFFFAOYSA-N

Formula

C11H18Cl2O4

SMILES

CC(C)(C)COC(=O)CCC(=O)OCC(Cl)Cl

Molecular Weight¹

285.17

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-954.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.44	kJ/mol	Joback Calculated Property
ΔvapH°	76.01	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.46		Relay (1.0) Calculated Property
logPoct/wat	2.703		Crippen Calculated Property
McVol	205.210	ml/mol	McGowan Calculated Property
Inp	[1675.00; 1675.00]
Inp	1675.00		NIST
Inp	1675.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[296.54; 621.59]	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			4.33340e+01
Coefficient B			1.08456e+00
Coefficient C			-6.01200e-04
Coefficient D			9.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.54	J/mol×K	273.00	Calculated Property
Cp,gas	355.98	J/mol×K	353.78	Calculated Property
Cp,gas	408.89	J/mol×K	434.56	Calculated Property
Cp,gas	455.57	J/mol×K	515.33	Calculated Property
Cp,gas	496.32	J/mol×K	596.11	Calculated Property
Cp,gas	531.44	J/mol×K	676.89	Calculated Property
Cp,gas	561.22	J/mol×K	757.67	Calculated Property
Cp,gas	585.98	J/mol×K	838.44	Calculated Property
Cp,gas	606.00	J/mol×K	919.22	Calculated Property
Cp,gas	621.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036188; 0.0001419]	Pa×s	[345.65; 583.48]	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			-1.35679e+01
Coefficient B			2.74664e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			345.65
Temperature range, max.			583.48
η	0.0036188	Pa×s	345.65	Calculated Property
η	0.0020581	Pa×s	372.08	Calculated Property
η	0.0012614	Pa×s	398.50	Calculated Property
η	0.0008217	Pa×s	424.93	Calculated Property
η	0.0005628	Pa×s	451.35	Calculated Property
η	0.0004020	Pa×s	477.78	Calculated Property
η	0.0002974	Pa×s	504.21	Calculated Property
η	0.0002267	Pa×s	530.63	Calculated Property
η	0.0001774	Pa×s	557.06	Calculated Property
η	0.0001419	Pa×s	583.48	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl neopentyl 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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