Chemical Properties of Dimethylmalonic acid, di(2,4,6-trichlorophenyl) ester

InChI

InChI=1S/C17H10Cl6O4/c1-17(2,15(24)26-13-9(20)3-7(18)4-10(13)21)16(25)27-14-11(22)5-8(19)6-12(14)23/h3-6H,1-2H3

InChI Key

JJNNXKRWAHPASX-UHFFFAOYSA-N

Formula

C17H10Cl6O4

SMILES

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

Molecular Weight¹

490.98

• 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	0.8352		Relay (... Calculated Property
ΔfG°	-277.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-641.54	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.88	kJ/mol	Joback Calculated Property
ΔvapH°	119.44	kJ/mol	Relay (... Calculated Property
IE	8.79	eV	Relay (... Calculated Property
log10WS	-7.89		Relay (... Calculated Property
logPoct/wat	7.144		Crippen Calculated Property
McVol	291.190	ml/mol	McGowan Calculated Property
Pc	1752.14	kPa	Joback Calculated Property
Inp	[2945.00; 2945.00]
Inp	2945.00		NIST
Inp	2945.00		NIST
Tboil	614.97	K	Relay (... Calculated Property
Tc	984.78	K	Relay (... Calculated Property
Tfus	390.63	K	Relay (... Calculated Property
Vc	1.032	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.25; 731.29]	J/mol×K	[1045.53; 1306.14]
Cp,gas	714.25	J/mol×K	1045.53	Joback Calculated Property
Cp,gas	719.76	J/mol×K	1088.96	Joback Calculated Property
Cp,gas	724.14	J/mol×K	1132.40	Joback Calculated Property
Cp,gas	727.44	J/mol×K	1175.83	Joback Calculated Property
Cp,gas	729.70	J/mol×K	1219.27	Joback Calculated Property
Cp,gas	730.97	J/mol×K	1262.70	Joback Calculated Property
Cp,gas	731.29	J/mol×K	1306.14	Joback Calculated Property
η	[0.0000278; 0.0001224]	Pa×s	[735.57; 1045.53]
η	0.0001224	Pa×s	735.57	Joback Calculated Property
η	0.0000882	Pa×s	787.23	Joback Calculated Property
η	0.0000662	Pa×s	838.89	Joback Calculated Property
η	0.0000513	Pa×s	890.55	Joback Calculated Property
η	0.0000409	Pa×s	942.21	Joback Calculated Property
η	0.0000334	Pa×s	993.87	Joback Calculated Property
η	0.0000278	Pa×s	1045.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2,4,6-trichlorophenyl) ester.

Sources

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

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