Chemical Properties of Diethylmalonic acid, 2,4-dichlorophenyl tridecyl ester

InChI

InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-31-24(29)26(5-2,6-3)25(30)32-23-18-17-21(27)20-22(23)28/h17-18,20H,4-16,19H2,1-3H3

InChI Key

XTSFSVMIPWNFKR-UHFFFAOYSA-N

Formula

C26H40Cl2O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

487.50

• 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	1.1356		Relay (1.0) Calculated Property
ΔfG°	-227.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-993.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.91	kJ/mol	Joback Calculated Property
ΔvapH°	130.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-7.99		Relay (1.0) Calculated Property
logPoct/wat	8.559		Crippen Calculated Property
McVol	392.800	ml/mol	McGowan Calculated Property
Pc	877.39	kPa	Joback Calculated Property
Inp	[3116.00; 3116.00]
Inp	3116.00		NIST
Inp	3116.00		NIST
Tboil	672.47	K	Relay (1.0) Calculated Property
Tc	911.31	K	Relay (1.0) Calculated Property
Tfus	325.83	K	Relay (1.0) Calculated Property
Vc	1.429	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1292.89; 1364.01]	J/mol×K	[1055.13; 1293.12]
Cp,gas	1292.89	J/mol×K	1055.13	Joback Calculated Property
Cp,gas	1308.11	J/mol×K	1094.80	Joback Calculated Property
Cp,gas	1321.86	J/mol×K	1134.46	Joback Calculated Property
Cp,gas	1334.24	J/mol×K	1174.13	Joback Calculated Property
Cp,gas	1345.33	J/mol×K	1213.79	Joback Calculated Property
Cp,gas	1355.23	J/mol×K	1253.46	Joback Calculated Property
Cp,gas	1364.01	J/mol×K	1293.12	Joback Calculated Property
η	[0.0000121; 0.0001416]	Pa×s	[640.82; 1055.13]
η	0.0001416	Pa×s	640.82	Joback Calculated Property
η	0.0000771	Pa×s	709.87	Joback Calculated Property
η	0.0000467	Pa×s	778.92	Joback Calculated Property
η	0.0000307	Pa×s	847.97	Joback Calculated Property
η	0.0000215	Pa×s	917.03	Joback Calculated Property
η	0.0000158	Pa×s	986.08	Joback Calculated Property
η	0.0000121	Pa×s	1055.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichlorophenyl tridecyl ester.

Sources

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

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