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

InChI

InChI=1S/C23H37F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-33-18(31)20(5-2,6-3)19(32)34-17-21(24,25)22(26,27)23(28,29)30/h4-17H2,1-3H3

InChI Key

KETIWCSONQLCTI-UHFFFAOYSA-N

Formula

C23H37F7O4

SMILES

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

Molecular Weight¹

510.53

• 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°	-1677.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-2415.42	kJ/mol	Joback Calculated Property
ΔfusH°	52.80	kJ/mol	Joback Calculated Property
ΔvapH°	74.20	kJ/mol	Joback Calculated Property
log10WS	-8.22		Crippen Calculated Property
logPoct/wat	7.633		Crippen Calculated Property
McVol	362.200	ml/mol	McGowan Calculated Property
Pc	783.31	kPa	Joback Calculated Property
Inp	[2098.00; 2098.00]
Inp	2098.00		NIST
Inp	2098.00		NIST
Tboil	860.19	K	Joback Calculated Property
Tc	1055.03	K	Joback Calculated Property
Tfus	507.10	K	Joback Calculated Property
Vc	1.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1206.42; 1299.29]	J/mol×K	[860.19; 1055.03]
Cp,gas	1206.42	J/mol×K	860.19	Joback Calculated Property
Cp,gas	1224.40	J/mol×K	892.66	Joback Calculated Property
Cp,gas	1241.25	J/mol×K	925.14	Joback Calculated Property
Cp,gas	1257.07	J/mol×K	957.61	Joback Calculated Property
Cp,gas	1271.95	J/mol×K	990.08	Joback Calculated Property
Cp,gas	1285.99	J/mol×K	1022.56	Joback Calculated Property
Cp,gas	1299.29	J/mol×K	1055.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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