Chemical Properties of Fumaric acid, nonadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C28H44F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-39-23(37)19-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h19-20,25H,2-18,21-22H2,1H3/b20-19+

InChI Key

QQVITBKEIHTHPR-FMQUCBEESA-N

Formula

C28H44F8O4

SMILES

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

Molecular Weight¹

596.63

• 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°	-1755.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-2594.04	kJ/mol	Joback Calculated Property
ΔfusH°	72.93	kJ/mol	Joback Calculated Property
ΔvapH°	85.38	kJ/mol	Joback Calculated Property
log10WS	-10.38		Crippen Calculated Property
logPoct/wat	9.452		Crippen Calculated Property
McVol	430.120	ml/mol	McGowan Calculated Property
Pc	607.56	kPa	Joback Calculated Property
Inp	[2878.00; 2878.00]
Inp	2878.00		NIST
Inp	2878.00		NIST
Tboil	980.81	K	Joback Calculated Property
Tc	1235.46	K	Joback Calculated Property
Tfus	541.54	K	Joback Calculated Property
Vc	1.736	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1499.36; 1616.88]	J/mol×K	[980.81; 1235.46]
Cp,gas	1499.36	J/mol×K	980.81	Joback Calculated Property
Cp,gas	1522.08	J/mol×K	1023.25	Joback Calculated Property
Cp,gas	1543.24	J/mol×K	1065.69	Joback Calculated Property
Cp,gas	1563.07	J/mol×K	1108.13	Joback Calculated Property
Cp,gas	1581.80	J/mol×K	1150.57	Joback Calculated Property
Cp,gas	1599.66	J/mol×K	1193.02	Joback Calculated Property
Cp,gas	1616.88	J/mol×K	1235.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, nonadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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