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

InChI

InChI=1S/C25H36F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-32-22(30)24(2,3)23(31)33-20-17-15-16-19(21(20)26)25(27,28)29/h15-17H,4-14,18H2,1-3H3

InChI Key

WBANCSMMXJVOOD-UHFFFAOYSA-N

Formula

C25H36F4O4

SMILES

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

Molecular Weight¹

476.54

• 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°	-988.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1637.28	kJ/mol	Joback Calculated Property
ΔfusH°	56.83	kJ/mol	Joback Calculated Property
ΔvapH°	87.30	kJ/mol	Joback Calculated Property
log10WS	-8.54		Crippen Calculated Property
logPoct/wat	7.630		Crippen Calculated Property
McVol	361.310	ml/mol	McGowan Calculated Property
Pc	882.09	kPa	Joback Calculated Property
Inp	[2524.00; 2524.00]
Inp	2524.00		NIST
Inp	2524.00		NIST
Tboil	951.24	K	Joback Calculated Property
Tc	1165.24	K	Joback Calculated Property
Tfus	574.49	K	Joback Calculated Property
Vc	1.425	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1208.47; 1290.46]	J/mol×K	[951.24; 1165.24]
Cp,gas	1208.47	J/mol×K	951.24	Joback Calculated Property
Cp,gas	1225.00	J/mol×K	986.91	Joback Calculated Property
Cp,gas	1240.28	J/mol×K	1022.57	Joback Calculated Property
Cp,gas	1254.38	J/mol×K	1058.24	Joback Calculated Property
Cp,gas	1267.39	J/mol×K	1093.91	Joback Calculated Property
Cp,gas	1279.39	J/mol×K	1129.58	Joback Calculated Property
Cp,gas	1290.46	J/mol×K	1165.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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