Chemical Properties of Succinic acid, 2,3-dichlorophenyl neopentyl ester

InChI

InChI=1S/C15H18Cl2O4/c1-15(2,3)9-20-12(18)7-8-13(19)21-11-6-4-5-10(16)14(11)17/h4-6H,7-9H2,1-3H3

InChI Key

KIAUQVRRYIUIEZ-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CC(C)(C)COC(=O)CCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

333.21

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.59	kJ/mol	Joback Calculated Property
log10WS	-5.27		Relay (1.0) Calculated Property
logPoct/wat	4.268		Crippen Calculated Property
McVol	237.810	ml/mol	McGowan Calculated Property
Inp	[2207.00; 2207.00]
Inp	2207.00		NIST
Inp	2207.00		NIST
Tfus	358.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[329.56; 702.81]	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			3.60730e+01
Coefficient B			1.26076e+00
Coefficient C			-7.12720e-04
Coefficient D			1.18700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.56	J/mol×K	273.00	Calculated Property
Cp,gas	398.15	J/mol×K	353.78	Calculated Property
Cp,gas	459.09	J/mol×K	434.56	Calculated Property
Cp,gas	512.75	J/mol×K	515.33	Calculated Property
Cp,gas	559.51	J/mol×K	596.11	Calculated Property
Cp,gas	599.73	J/mol×K	676.89	Calculated Property
Cp,gas	633.79	J/mol×K	757.67	Calculated Property
Cp,gas	662.08	J/mol×K	838.44	Calculated Property
Cp,gas	684.96	J/mol×K	919.22	Calculated Property
Cp,gas	702.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007673; 0.0000834]	Pa×s	[457.19; 688.88]	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			-1.37702e+01
Coefficient B			3.01636e+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.			457.19
Temperature range, max.			688.88
η	0.0007673	Pa×s	457.19	Calculated Property
η	0.0005398	Pa×s	482.93	Calculated Property
η	0.0003935	Pa×s	508.68	Calculated Property
η	0.0002957	Pa×s	534.42	Calculated Property
η	0.0002282	Pa×s	560.16	Calculated Property
η	0.0001801	Pa×s	585.90	Calculated Property
η	0.0001450	Pa×s	611.65	Calculated Property
η	0.0001188	Pa×s	637.39	Calculated Property
η	0.0000989	Pa×s	663.13	Calculated Property
η	0.0000834	Pa×s	688.88	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dichlorophenyl 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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