Chemical Properties of Succinic acid, 2-methylpent-3-yl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C16H19Cl3O4/c1-4-13(9(2)3)22-15(20)5-6-16(21)23-14-8-11(18)10(17)7-12(14)19/h7-9,13H,4-6H2,1-3H3

InChI Key

FRKGZYCNYUSXNM-UHFFFAOYSA-N

Formula

C16H19Cl3O4

SMILES

CCC(OC(=O)CCC(=O)Oc1cc(Cl)c(Cl)cc1Cl)C(C)C

Molecular Weight¹

381.68

• 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°	44.35	kJ/mol	Joback Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	5.310		Crippen Calculated Property
McVol	264.140	ml/mol	McGowan Calculated Property
Inp	[2368.00; 2368.00]
Inp	2368.00		NIST
Inp	2368.00		NIST
Tfus	332.62	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	[367.56; 759.24]	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			8.34630e+01
Coefficient B			1.18906e+00
Coefficient C			-5.55080e-04
Coefficient D			4.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.56	J/mol×K	273.00	Calculated Property
Cp,gas	436.50	J/mol×K	353.78	Calculated Property
Cp,gas	498.79	J/mol×K	434.56	Calculated Property
Cp,gas	554.53	J/mol×K	515.33	Calculated Property
Cp,gas	603.88	J/mol×K	596.11	Calculated Property
Cp,gas	646.96	J/mol×K	676.89	Calculated Property
Cp,gas	683.91	J/mol×K	757.67	Calculated Property
Cp,gas	714.85	J/mol×K	838.44	Calculated Property
Cp,gas	739.91	J/mol×K	919.22	Calculated Property
Cp,gas	759.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006360; 0.0000677]	Pa×s	[478.48; 735.83]	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			-1.37674e+01
Coefficient B			3.06568e+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.			478.48
Temperature range, max.			735.83
η	0.0006360	Pa×s	478.48	Calculated Property
η	0.0004432	Pa×s	507.07	Calculated Property
η	0.0003209	Pa×s	535.67	Calculated Property
η	0.0002401	Pa×s	564.26	Calculated Property
η	0.0001848	Pa×s	592.86	Calculated Property
η	0.0001456	Pa×s	621.45	Calculated Property
η	0.0001172	Pa×s	650.05	Calculated Property
η	0.0000961	Pa×s	678.64	Calculated Property
η	0.0000801	Pa×s	707.23	Calculated Property
η	0.0000677	Pa×s	735.83	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-yl 2,4,5-trichlorophenyl 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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