Chemical Properties of Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester

InChI

InChI=1S/C22H35F7O4/c1-4-7-8-9-10-11-12-13-14-15-32-17(30)19(5-2,6-3)18(31)33-16-20(23,24)21(25,26)22(27,28)29/h4-16H2,1-3H3

InChI Key

DLGBJOVABFAHOP-UHFFFAOYSA-N

Formula

C22H35F7O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

496.50

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0147		Relay (1.0) Calculated Property
ΔfG°	-1685.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-2515.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.21	kJ/mol	Joback Calculated Property
ΔvapH°	99.62	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	-7.38		Relay (1.0) Calculated Property
logPoct/wat	7.243		Crippen Calculated Property
McVol	348.110	ml/mol	McGowan Calculated Property
Pc	827.16	kPa	Joback Calculated Property
Inp	[2003.00; 2003.00]
Inp	2003.00		NIST
Inp	2003.00		NIST
Tboil	592.86	K	Relay (1.0) Calculated Property
Tc	717.82	K	Relay (1.0) Calculated Property
Tfus	279.45	K	Relay (1.0) Calculated Property
Vc	1.302	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1145.55; 1235.12]	J/mol×K	[837.31; 1025.58]
Cp,gas	1145.55	J/mol×K	837.31	Joback Calculated Property
Cp,gas	1162.87	J/mol×K	868.69	Joback Calculated Property
Cp,gas	1179.13	J/mol×K	900.07	Joback Calculated Property
Cp,gas	1194.40	J/mol×K	931.45	Joback Calculated Property
Cp,gas	1208.77	J/mol×K	962.83	Joback Calculated Property
Cp,gas	1222.31	J/mol×K	994.21	Joback Calculated Property
Cp,gas	1235.12	J/mol×K	1025.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.