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

InChI

InChI=1S/C18H16F8O4/c19-15(20)17(23,24)18(25,26)16(21,22)11-30-14(28)9-8-13(27)29-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15H,4,7,10-11H2/b9-8+

InChI Key

OLOPHWGRMNDZLI-CMDGGOBGSA-N

Formula

C18H16F8O4

SMILES

O=C(C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCCCc1ccccc1

Molecular Weight¹

448.30

• 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°	-1726.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-2151.11	kJ/mol	Joback Calculated Property
ΔfusH°	41.07	kJ/mol	Joback Calculated Property
ΔvapH°	65.40	kJ/mol	Joback Calculated Property
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	4.433		Crippen Calculated Property
McVol	265.460	ml/mol	McGowan Calculated Property
Pc	1307.06	kPa	Joback Calculated Property
Inp	[2051.00; 2051.00]
Inp	2051.00		NIST
Inp	2051.00		NIST
Tboil	778.69	K	Joback Calculated Property
Tc	963.08	K	Joback Calculated Property
Tfus	455.26	K	Joback Calculated Property
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.36; 865.71]	J/mol×K	[778.69; 963.08]
Cp,gas	803.36	J/mol×K	778.69	Joback Calculated Property
Cp,gas	815.74	J/mol×K	809.42	Joback Calculated Property
Cp,gas	827.22	J/mol×K	840.15	Joback Calculated Property
Cp,gas	837.89	J/mol×K	870.88	Joback Calculated Property
Cp,gas	847.81	J/mol×K	901.62	Joback Calculated Property
Cp,gas	857.06	J/mol×K	932.35	Joback Calculated Property
Cp,gas	865.71	J/mol×K	963.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-phenylpropyl 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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