Chemical Properties of Fumaric acid, naphth-1-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C19H12F8O4/c20-16(21)18(24,25)19(26,27)17(22,23)10-30-14(28)8-9-15(29)31-13-7-3-5-11-4-1-2-6-12(11)13/h1-9,16H,10H2/b9-8+

InChI Key

LLEZEWRGGFVBDU-CMDGGOBGSA-N

Formula

C19H12F8O4

SMILES

O=C(C=CC(=O)Oc1cccc2ccccc12)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

456.28

• 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°	-1621.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1992.15	kJ/mol	Joback Calculated Property
ΔfusH°	40.29	kJ/mol	Joback Calculated Property
ΔvapH°	69.92	kJ/mol	Joback Calculated Property
log10WS	-6.49		Crippen Calculated Property
logPoct/wat	5.016		Crippen Calculated Property
McVol	260.090	ml/mol	McGowan Calculated Property
Pc	1443.54	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	825.53	K	Joback Calculated Property
Tc	1023.88	K	Joback Calculated Property
Tfus	511.75	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[783.81; 838.85]	J/mol×K	[825.53; 1023.88]
Cp,gas	783.81	J/mol×K	825.53	Joback Calculated Property
Cp,gas	794.60	J/mol×K	858.59	Joback Calculated Property
Cp,gas	804.60	J/mol×K	891.65	Joback Calculated Property
Cp,gas	813.92	J/mol×K	924.70	Joback Calculated Property
Cp,gas	822.67	J/mol×K	957.76	Joback Calculated Property
Cp,gas	830.94	J/mol×K	990.82	Joback Calculated Property
Cp,gas	838.85	J/mol×K	1023.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-1-yl 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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