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

InChI

InChI=1S/C17H14F8O4/c1-9-5-10(2)7-11(6-9)29-13(27)4-3-12(26)28-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-7,14H,8H2,1-2H3/b4-3+

InChI Key

FNASLBAIWRVKPF-ONEGZZNKSA-N

Formula

C17H14F8O4

SMILES

Cc1cc(C)cc(OC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

Molecular Weight¹

434.28

• 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°	-1754.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-2153.41	kJ/mol	Joback Calculated Property
ΔfusH°	37.70	kJ/mol	Joback Calculated Property
ΔvapH°	64.49	kJ/mol	Joback Calculated Property
log10WS	-5.64		Crippen Calculated Property
logPoct/wat	4.479		Crippen Calculated Property
McVol	251.370	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[1939.00; 1939.00]
Inp	1939.00		NIST
Inp	1939.00		NIST
Tboil	765.77	K	Joback Calculated Property
Tc	950.90	K	Joback Calculated Property
Tfus	469.03	K	Joback Calculated Property
Vc	1.012	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[746.36; 805.78]	J/mol×K	[765.77; 950.90]
Cp,gas	746.36	J/mol×K	765.77	Joback Calculated Property
Cp,gas	758.18	J/mol×K	796.62	Joback Calculated Property
Cp,gas	769.14	J/mol×K	827.48	Joback Calculated Property
Cp,gas	779.33	J/mol×K	858.33	Joback Calculated Property
Cp,gas	788.79	J/mol×K	889.19	Joback Calculated Property
Cp,gas	797.58	J/mol×K	920.04	Joback Calculated Property
Cp,gas	805.78	J/mol×K	950.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 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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