Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H23Cl3O4/c1-11(9-18(2,3)4)10-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h7-8,11H,5-6,9-10H2,1-4H3

InChI Key

KCYLYFNPPOGEIA-UHFFFAOYSA-N

Formula

C18H23Cl3O4

SMILES

CC(COC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)CC(C)(C)C

Molecular Weight¹

409.73

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8573		Relay (1.0) Calculated Property
ΔfG°	-319.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-878.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.48	kJ/mol	Joback Calculated Property
ΔvapH°	100.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	5.948		Crippen Calculated Property
McVol	292.320	ml/mol	McGowan Calculated Property
Pc	1421.85	kPa	Joback Calculated Property
Inp	[2486.00; 2486.00]
Inp	2486.00		NIST
Inp	2486.00		NIST
Tboil	620.61	K	Relay (1.0) Calculated Property
Tc	868.01	K	Relay (1.0) Calculated Property
Tfus	355.81	K	Relay (1.0) Calculated Property
Vc	1.044	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.58; 892.85]	J/mol×K	[914.06; 1136.74]
Cp,gas	835.58	J/mol×K	914.06	Joback Calculated Property
Cp,gas	847.80	J/mol×K	951.17	Joback Calculated Property
Cp,gas	858.90	J/mol×K	988.29	Joback Calculated Property
Cp,gas	868.92	J/mol×K	1025.40	Joback Calculated Property
Cp,gas	877.89	J/mol×K	1062.51	Joback Calculated Property
Cp,gas	885.85	J/mol×K	1099.63	Joback Calculated Property
Cp,gas	892.85	J/mol×K	1136.74	Joback Calculated Property
η	[0.0000336; 0.0002948]	Pa×s	[578.10; 914.06]
η	0.0002948	Pa×s	578.10	Joback Calculated Property
η	0.0001750	Pa×s	634.09	Joback Calculated Property
η	0.0001131	Pa×s	690.09	Joback Calculated Property
η	0.0000780	Pa×s	746.08	Joback Calculated Property
η	0.0000567	Pa×s	802.07	Joback Calculated Property
η	0.0000429	Pa×s	858.07	Joback Calculated Property
η	0.0000336	Pa×s	914.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2,4,4-trimethylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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