Chemical Properties of Diethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C26H38F4O4/c1-4-7-8-9-10-11-12-13-14-15-19-33-23(31)25(5-2,6-3)24(32)34-21-18-16-17-20(22(21)27)26(28,29)30/h16-18H,4-15,19H2,1-3H3

InChI Key

FXTOVOHLMCVLNR-UHFFFAOYSA-N

Formula

C26H38F4O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

490.57

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-980.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1657.92	kJ/mol	Joback Calculated Property
ΔfusH°	59.42	kJ/mol	Joback Calculated Property
ΔvapH°	89.52	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	8.020		Crippen Calculated Property
McVol	375.400	ml/mol	McGowan Calculated Property
Pc	833.86	kPa	Joback Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	974.12	K	Joback Calculated Property
Tc	1194.98	K	Joback Calculated Property
Tfus	585.76	K	Joback Calculated Property
Vc	1.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1270.24; 1354.28]	J/mol×K	[974.12; 1194.98]
Cp,gas	1270.24	J/mol×K	974.12	Joback Calculated Property
Cp,gas	1287.25	J/mol×K	1010.93	Joback Calculated Property
Cp,gas	1302.94	J/mol×K	1047.74	Joback Calculated Property
Cp,gas	1317.39	J/mol×K	1084.55	Joback Calculated Property
Cp,gas	1330.70	J/mol×K	1121.36	Joback Calculated Property
Cp,gas	1342.97	J/mol×K	1158.17	Joback Calculated Property
Cp,gas	1354.28	J/mol×K	1194.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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