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

InChI

InChI=1S/C12H9Cl5O4/c13-6-3-7(14)12(8(15)4-6)21-11(19)2-1-10(18)20-5-9(16)17/h3-4,9H,1-2,5H2

InChI Key

HXCWOHWTKOYSSS-UHFFFAOYSA-N

Formula

C12H9Cl5O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCC(Cl)Cl

Molecular Weight¹

394.46

• 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	0.7936		Relay (1.0) Calculated Property
ΔfG°	-396.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-740.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.75	kJ/mol	Joback Calculated Property
ΔvapH°	102.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-5.65		Relay (1.0) Calculated Property
logPoct/wat	4.679		Crippen Calculated Property
McVol	232.260	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
Inp	[2495.00; 2495.00]
Inp	2495.00		NIST
Inp	2495.00		NIST
Tboil	602.17	K	Relay (1.0) Calculated Property
Tc	881.99	K	Relay (1.0) Calculated Property
Tfus	358.12	K	Relay (1.0) Calculated Property
Vc	0.813	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.11; 576.82]	J/mol×K	[854.87; 1086.74]
Cp,gas	542.11	J/mol×K	854.87	Joback Calculated Property
Cp,gas	550.19	J/mol×K	893.52	Joback Calculated Property
Cp,gas	557.35	J/mol×K	932.16	Joback Calculated Property
Cp,gas	563.59	J/mol×K	970.81	Joback Calculated Property
Cp,gas	568.92	J/mol×K	1009.45	Joback Calculated Property
Cp,gas	573.33	J/mol×K	1048.10	Joback Calculated Property
Cp,gas	576.82	J/mol×K	1086.74	Joback Calculated Property
η	[0.0000763; 0.0004367]	Pa×s	[567.90; 854.87]
η	0.0004367	Pa×s	567.90	Joback Calculated Property
η	0.0002917	Pa×s	615.73	Joback Calculated Property
η	0.0002065	Pa×s	663.56	Joback Calculated Property
η	0.0001531	Pa×s	711.38	Joback Calculated Property
η	0.0001179	Pa×s	759.21	Joback Calculated Property
η	0.0000937	Pa×s	807.04	Joback Calculated Property
η	0.0000763	Pa×s	854.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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