Chemical Properties of Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester

InChI

InChI=1S/C30H46F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-37-27(35)29(2,3)28(36)38-25-22-20-21-24(26(25)31)30(32,33)34/h20-22H,4-19,23H2,1-3H3

InChI Key

NRWZLSVQMGEJGM-UHFFFAOYSA-N

Formula

C30H46F4O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

546.68

• 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°	-946.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1740.48	kJ/mol	Joback Calculated Property
ΔfusH°	69.78	kJ/mol	Joback Calculated Property
ΔvapH°	98.43	kJ/mol	Joback Calculated Property
log10WS	-10.63		Crippen Calculated Property
logPoct/wat	9.581		Crippen Calculated Property
McVol	431.760	ml/mol	McGowan Calculated Property
Pc	675.70	kPa	Joback Calculated Property
Inp	[3024.00; 3024.00]
Inp	3024.00		NIST
Inp	3024.00		NIST
Tboil	1065.64	K	Joback Calculated Property
Tc	1326.49	K	Joback Calculated Property
Tfus	630.84	K	Joback Calculated Property
Vc	1.706	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1521.92; 1616.96]	J/mol×K	[1065.64; 1326.49]
Cp,gas	1521.92	J/mol×K	1065.64	Joback Calculated Property
Cp,gas	1541.49	J/mol×K	1109.12	Joback Calculated Property
Cp,gas	1559.33	J/mol×K	1152.59	Joback Calculated Property
Cp,gas	1575.62	J/mol×K	1196.07	Joback Calculated Property
Cp,gas	1590.53	J/mol×K	1239.54	Joback Calculated Property
Cp,gas	1604.25	J/mol×K	1283.02	Joback Calculated Property
Cp,gas	1616.96	J/mol×K	1326.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester.

Sources

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

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