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

InChI

InChI=1S/C23H32F4O4/c1-4-5-6-7-8-9-10-11-12-16-30-20(28)22(2,3)21(29)31-18-15-13-14-17(19(18)24)23(25,26)27/h13-15H,4-12,16H2,1-3H3

InChI Key

LZJZKEQAZIGUDH-UHFFFAOYSA-N

Formula

C23H32F4O4

SMILES

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

Molecular Weight¹

448.49

• 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°	-1005.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1596.00	kJ/mol	Joback Calculated Property
ΔfusH°	51.65	kJ/mol	Joback Calculated Property
ΔvapH°	82.84	kJ/mol	Joback Calculated Property
log10WS	-7.70		Crippen Calculated Property
logPoct/wat	6.850		Crippen Calculated Property
McVol	333.130	ml/mol	McGowan Calculated Property
Pc	992.00	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	905.48	K	Joback Calculated Property
Tc	1108.92	K	Joback Calculated Property
Tfus	551.95	K	Joback Calculated Property
Vc	1.313	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1086.61; 1165.02]	J/mol×K	[905.48; 1108.92]
Cp,gas	1086.61	J/mol×K	905.48	Joback Calculated Property
Cp,gas	1102.31	J/mol×K	939.39	Joback Calculated Property
Cp,gas	1116.86	J/mol×K	973.29	Joback Calculated Property
Cp,gas	1130.35	J/mol×K	1007.20	Joback Calculated Property
Cp,gas	1142.82	J/mol×K	1041.11	Joback Calculated Property
Cp,gas	1154.36	J/mol×K	1075.02	Joback Calculated Property
Cp,gas	1165.02	J/mol×K	1108.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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