Chemical Properties of Succinic acid, phenethyl 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI

InChI=1S/C16H15F7O4/c17-14(18,15(19,20)16(21,22)23)10-27-13(25)7-6-12(24)26-9-8-11-4-2-1-3-5-11/h1-5H,6-10H2

InChI Key

SLNYNXNPQFBTJC-UHFFFAOYSA-N

Formula

C16H15F7O4

SMILES

O=C(CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)OCCc1ccccc1

Molecular Weight¹

404.28

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7983		Relay (1.0) Calculated Property
ΔfG°	-1626.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-2157.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.13	kJ/mol	Joback Calculated Property
ΔvapH°	89.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	3.929		Crippen Calculated Property
McVol	239.810	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
Inp	[1787.00; 1787.00]
Inp	1787.00		NIST
Inp	1787.00		NIST
Tboil	578.33	K	Relay (1.0) Calculated Property
Tc	716.35	K	Relay (1.0) Calculated Property
Tfus	265.86	K	Relay (1.0) Calculated Property
Vc	0.886	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.52; 773.33]	J/mol×K	[729.94; 911.17]
Cp,gas	710.52	J/mol×K	729.94	Joback Calculated Property
Cp,gas	723.05	J/mol×K	760.14	Joback Calculated Property
Cp,gas	734.68	J/mol×K	790.35	Joback Calculated Property
Cp,gas	745.47	J/mol×K	820.55	Joback Calculated Property
Cp,gas	755.47	J/mol×K	850.76	Joback Calculated Property
Cp,gas	764.74	J/mol×K	880.96	Joback Calculated Property
Cp,gas	773.33	J/mol×K	911.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, phenethyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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