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

InChI

InChI=1S/C24H38F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-35-19(33)21(5-2,6-3)20(34)36-17-22(27,28)24(31,32)23(29,30)18(25)26/h18H,4-17H2,1-3H3

InChI Key

ONKMLEDLJGXDMA-UHFFFAOYSA-N

Formula

C24H38F8O4

SMILES

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

Molecular Weight¹

542.54

• 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	1.0933		Relay (... Calculated Property
ΔfG°	-1866.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2696.88	kJ/mol	Relay (... Calculated Property
ΔfusH°	54.95	kJ/mol	Joback Calculated Property
ΔvapH°	110.40	kJ/mol	Relay (... Calculated Property
IE	10.08	eV	Relay (... Calculated Property
log10WS	-8.00		Relay (... Calculated Property
logPoct/wat	7.971		Crippen Calculated Property
McVol	378.060	ml/mol	McGowan Calculated Property
Pc	728.10	kPa	Joback Calculated Property
Inp	[2210.00; 2210.00]
Inp	2210.00		NIST
Inp	2210.00		NIST
Tboil	624.47	K	Relay (... Calculated Property
Tc	767.34	K	Relay (... Calculated Property
Tfus	310.46	K	Relay (... Calculated Property
Vc	1.421	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1275.56; 1371.55]	J/mol×K	[881.90; 1085.48]
Cp,gas	1275.56	J/mol×K	881.90	Joback Calculated Property
Cp,gas	1294.23	J/mol×K	915.83	Joback Calculated Property
Cp,gas	1311.68	J/mol×K	949.76	Joback Calculated Property
Cp,gas	1328.03	J/mol×K	983.69	Joback Calculated Property
Cp,gas	1343.38	J/mol×K	1017.62	Joback Calculated Property
Cp,gas	1357.85	J/mol×K	1051.55	Joback Calculated Property
Cp,gas	1371.55	J/mol×K	1085.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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