Chemical Properties of Diethylmalonic acid, dodecyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C25H37Cl3O4/c1-4-7-8-9-10-11-12-13-14-15-16-31-23(29)25(5-2,6-3)24(30)32-21-18-19(26)17-20(27)22(21)28/h17-18H,4-16H2,1-3H3

InChI Key

ZMIQNJWSFDDUDR-UHFFFAOYSA-N

Formula

C25H37Cl3O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

507.92

• 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	1.1289		Relay (1.0) Calculated Property
ΔfG°	-257.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-992.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.13	kJ/mol	Joback Calculated Property
ΔvapH°	130.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-8.43		Relay (1.0) Calculated Property
logPoct/wat	8.823		Crippen Calculated Property
McVol	390.950	ml/mol	McGowan Calculated Property
Pc	900.72	kPa	Joback Calculated Property
Inp	[3118.00; 3118.00]
Inp	3118.00		NIST
Inp	3118.00		NIST
Tboil	680.64	K	Relay (1.0) Calculated Property
Tc	930.28	K	Relay (1.0) Calculated Property
Tfus	329.00	K	Relay (1.0) Calculated Property
Vc	1.419	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1252.13; 1314.10]	J/mol×K	[1074.66; 1316.85]
Cp,gas	1252.13	J/mol×K	1074.66	Joback Calculated Property
Cp,gas	1265.79	J/mol×K	1115.03	Joback Calculated Property
Cp,gas	1278.01	J/mol×K	1155.39	Joback Calculated Property
Cp,gas	1288.87	J/mol×K	1195.76	Joback Calculated Property
Cp,gas	1298.45	J/mol×K	1236.12	Joback Calculated Property
Cp,gas	1306.83	J/mol×K	1276.49	Joback Calculated Property
Cp,gas	1314.10	J/mol×K	1316.85	Joback Calculated Property
η	[0.0000121; 0.0001146]	Pa×s	[671.99; 1074.66]
η	0.0001146	Pa×s	671.99	Joback Calculated Property
η	0.0000664	Pa×s	739.10	Joback Calculated Property
η	0.0000422	Pa×s	806.21	Joback Calculated Property
η	0.0000287	Pa×s	873.32	Joback Calculated Property
η	0.0000206	Pa×s	940.44	Joback Calculated Property
η	0.0000155	Pa×s	1007.55	Joback Calculated Property
η	0.0000121	Pa×s	1074.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2,3,5-trichlorophenyl ester.

Sources

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

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