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

InChI

InChI=1S/C28H47F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-23(36)25(5-2,6-3)24(37)39-22-26(29,30)27(31,32)28(33,34)35/h4-22H2,1-3H3

InChI Key

GXJOTEMWFIGBEG-UHFFFAOYSA-N

Formula

C28H47F7O4

SMILES

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

Molecular Weight¹

580.66

• 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°	-1635.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-2518.62	kJ/mol	Joback Calculated Property
ΔfusH°	65.75	kJ/mol	Joback Calculated Property
ΔvapH°	85.33	kJ/mol	Joback Calculated Property
log10WS	-10.32		Crippen Calculated Property
logPoct/wat	9.584		Crippen Calculated Property
McVol	432.650	ml/mol	McGowan Calculated Property
Pc	608.76	kPa	Joback Calculated Property
Inp	[2575.00; 2575.00]
Inp	2575.00		NIST
Inp	2575.00		NIST
Tboil	974.59	K	Joback Calculated Property
Tc	1219.58	K	Joback Calculated Property
Tfus	563.45	K	Joback Calculated Property
Vc	1.734	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1520.07; 1636.75]	J/mol×K	[974.59; 1219.58]
Cp,gas	1520.07	J/mol×K	974.59	Joback Calculated Property
Cp,gas	1542.60	J/mol×K	1015.42	Joback Calculated Property
Cp,gas	1563.61	J/mol×K	1056.25	Joback Calculated Property
Cp,gas	1583.31	J/mol×K	1097.09	Joback Calculated Property
Cp,gas	1601.93	J/mol×K	1137.92	Joback Calculated Property
Cp,gas	1619.67	J/mol×K	1178.75	Joback Calculated Property
Cp,gas	1636.75	J/mol×K	1219.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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