Chemical Properties of Succinic acid, 3-methylbut-2-yl 3,5-dichlorophenyl ester

InChI

InChI=1S/C15H18Cl2O4/c1-9(2)10(3)20-14(18)4-5-15(19)21-13-7-11(16)6-12(17)8-13/h6-10H,4-5H2,1-3H3

InChI Key

XOCIACDFRHXOPJ-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CC(C)C(C)OC(=O)CCC(=O)Oc1cc(Cl)cc(Cl)c1

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).
• 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
ΔfusH°	37.95	kJ/mol	Joback Calculated Property
logPoct/wat	4.267		Crippen Calculated Property
McVol	237.810	ml/mol	McGowan Calculated Property
Inp	[2170.00; 2170.00]
Inp	2170.00		NIST
Inp	2170.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[330.39; 702.42]	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			5.71820e+01
Coefficient B			1.14676e+00
Coefficient C			-5.47320e-04
Coefficient D			4.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.39	J/mol×K	273.00	Calculated Property
Cp,gas	396.41	J/mol×K	353.78	Calculated Property
Cp,gas	455.92	J/mol×K	434.56	Calculated Property
Cp,gas	509.06	J/mol×K	515.33	Calculated Property
Cp,gas	555.99	J/mol×K	596.11	Calculated Property
Cp,gas	596.85	J/mol×K	676.89	Calculated Property
Cp,gas	631.77	J/mol×K	757.67	Calculated Property
Cp,gas	660.91	J/mol×K	838.44	Calculated Property
Cp,gas	684.41	J/mol×K	919.22	Calculated Property
Cp,gas	702.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011235; 0.0000858]	Pa×s	[424.77; 688.59]	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			-1.35042e+01
Coefficient B			2.85146e+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.			424.77
Temperature range, max.			688.59
η	0.0011235	Pa×s	424.77	Calculated Property
η	0.0007284	Pa×s	454.08	Calculated Property
η	0.0004977	Pa×s	483.40	Calculated Property
η	0.0003553	Pa×s	512.71	Calculated Property
η	0.0002630	Pa×s	542.02	Calculated Property
η	0.0002008	Pa×s	571.34	Calculated Property
η	0.0001574	Pa×s	600.65	Calculated Property
η	0.0001262	Pa×s	629.96	Calculated Property
η	0.0001032	Pa×s	659.28	Calculated Property
η	0.0000858	Pa×s	688.59	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3,5-dichlorophenyl 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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