Chemical Properties of Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl hexadecyl ester

InChI

InChI=1S/C28H46F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-23(37)25(5-2,6-3)24(38)40-21-26(31,32)28(35,36)27(33,34)22(29)30/h22H,4-21H2,1-3H3

InChI Key

FTWCBGRWQBGSRC-UHFFFAOYSA-N

Formula

C28H46F8O4

SMILES

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

Molecular Weight¹

598.65

• 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	1.2386		Relay (... Calculated Property
ΔfG°	-1832.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-2773.67	kJ/mol	Relay (... Calculated Property
ΔfusH°	65.31	kJ/mol	Joback Calculated Property
ΔvapH°	125.96	kJ/mol	Relay (... Calculated Property
IE	10.16	eV	Relay (... Calculated Property
log10WS	-9.03		Relay (... Calculated Property
logPoct/wat	9.532		Crippen Calculated Property
McVol	434.420	ml/mol	McGowan Calculated Property
Pc	597.80	kPa	Joback Calculated Property
Inp	[2589.00; 2589.00]
Inp	2589.00		NIST
Inp	2589.00		NIST
Tboil	657.47	K	Relay (... Calculated Property
Tc	799.93	K	Relay (... Calculated Property
Tfus	320.56	K	Relay (... Calculated Property
Vc	1.633	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1527.17; 1643.71]	J/mol×K	[973.42; 1221.73]
Cp,gas	1527.17	J/mol×K	973.42	Joback Calculated Property
Cp,gas	1549.78	J/mol×K	1014.80	Joback Calculated Property
Cp,gas	1570.82	J/mol×K	1056.19	Joback Calculated Property
Cp,gas	1590.51	J/mol×K	1097.57	Joback Calculated Property
Cp,gas	1609.07	J/mol×K	1138.96	Joback Calculated Property
Cp,gas	1626.73	J/mol×K	1180.34	Joback Calculated Property
Cp,gas	1643.71	J/mol×K	1221.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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