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

InChI

InChI=1S/C21H28F4O4/c1-4-5-6-7-8-9-10-14-28-18(26)20(2,3)19(27)29-16-13-11-12-15(17(16)22)21(23,24)25/h11-13H,4-10,14H2,1-3H3

InChI Key

UPRVMXUNNHJBLR-UHFFFAOYSA-N

Formula

C21H28F4O4

SMILES

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

Molecular Weight¹

420.44

• 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°	-1022.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1554.72	kJ/mol	Joback Calculated Property
ΔfusH°	46.47	kJ/mol	Joback Calculated Property
ΔvapH°	78.39	kJ/mol	Joback Calculated Property
log10WS	-6.86		Crippen Calculated Property
logPoct/wat	6.070		Crippen Calculated Property
McVol	304.950	ml/mol	McGowan Calculated Property
Pc	1123.81	kPa	Joback Calculated Property
Inp	[2139.00; 2139.00]
Inp	2139.00		NIST
Inp	2139.00		NIST
Tboil	859.72	K	Joback Calculated Property
Tc	1056.32	K	Joback Calculated Property
Tfus	529.41	K	Joback Calculated Property
Vc	1.202	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[967.28; 1042.58]	J/mol×K	[859.72; 1056.32]
Cp,gas	967.28	J/mol×K	859.72	Joback Calculated Property
Cp,gas	982.27	J/mol×K	892.49	Joback Calculated Property
Cp,gas	996.22	J/mol×K	925.25	Joback Calculated Property
Cp,gas	1009.17	J/mol×K	958.02	Joback Calculated Property
Cp,gas	1021.17	J/mol×K	990.79	Joback Calculated Property
Cp,gas	1032.29	J/mol×K	1023.56	Joback Calculated Property
Cp,gas	1042.58	J/mol×K	1056.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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