Chemical Properties of Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester

InChI

InChI=1S/C19H25F3O4/c1-5-18(6-2,16(23)25-11-13(3)4)17(24)26-12-14-7-9-15(10-8-14)19(20,21)22/h7-10,13H,5-6,11-12H2,1-4H3

InChI Key

AUTUXSPXKHAABW-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCC(CC)(C(=O)OCc1ccc(C(F)(F)F)cc1)C(=O)OCC(C)C

Molecular Weight¹

374.39

• 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°	-837.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1311.14	kJ/mol	Joback Calculated Property
ΔfusH°	35.08	kJ/mol	Joback Calculated Property
ΔvapH°	73.71	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.754		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1348.67	kPa	Joback Calculated Property
Inp	[1903.00; 1903.00]
Inp	1903.00		NIST
Inp	1903.00		NIST
Tboil	809.27	K	Joback Calculated Property
Tc	1007.49	K	Joback Calculated Property
Tfus	478.76	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[844.74; 919.97]	J/mol×K	[809.27; 1007.49]
Cp,gas	844.74	J/mol×K	809.27	Joback Calculated Property
Cp,gas	859.74	J/mol×K	842.31	Joback Calculated Property
Cp,gas	873.69	J/mol×K	875.34	Joback Calculated Property
Cp,gas	886.63	J/mol×K	908.38	Joback Calculated Property
Cp,gas	898.62	J/mol×K	941.41	Joback Calculated Property
Cp,gas	909.71	J/mol×K	974.45	Joback Calculated Property
Cp,gas	919.97	J/mol×K	1007.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.