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

InChI

InChI=1S/C18H16F8O4/c1-2-12(11-6-4-3-5-7-11)30-14(28)9-8-13(27)29-10-16(21,22)18(25,26)17(23,24)15(19)20/h3-9,12,15H,2,10H2,1H3/b9-8+

InChI Key

VDWQZSMOHVNPMM-CMDGGOBGSA-N

Formula

C18H16F8O4

SMILES

CCC(OC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1

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°	-1729.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-2156.39	kJ/mol	Joback Calculated Property
ΔfusH°	37.54	kJ/mol	Joback Calculated Property
ΔvapH°	65.01	kJ/mol	Joback Calculated Property
log10WS	-5.75		Crippen Calculated Property
logPoct/wat	4.951		Crippen Calculated Property
McVol	265.460	ml/mol	McGowan Calculated Property
Pc	1314.65	kPa	Joback Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	778.25	K	Joback Calculated Property
Tc	964.18	K	Joback Calculated Property
Tfus	440.26	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.93; 866.61]	J/mol×K	[778.25; 964.18]
Cp,gas	803.93	J/mol×K	778.25	Joback Calculated Property
Cp,gas	816.41	J/mol×K	809.24	Joback Calculated Property
Cp,gas	827.98	J/mol×K	840.23	Joback Calculated Property
Cp,gas	838.72	J/mol×K	871.21	Joback Calculated Property
Cp,gas	848.68	J/mol×K	902.20	Joback Calculated Property
Cp,gas	857.96	J/mol×K	933.19	Joback Calculated Property
Cp,gas	866.61	J/mol×K	964.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-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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