Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl phenethyl ester

InChI

InChI=1S/C17H16F8O4/c18-14(19)16(22,23)17(24,25)15(20,21)10-29-13(27)7-6-12(26)28-9-8-11-4-2-1-3-5-11/h1-5,14H,6-10H2

InChI Key

BPOQOGPKAHOLMW-UHFFFAOYSA-N

Formula

C17H16F8O4

SMILES

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

Molecular Weight¹

436.29

• 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	0.8407		Relay (1.0) Calculated Property
ΔfG°	-1815.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-2326.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.28	kJ/mol	Joback Calculated Property
ΔvapH°	96.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-5.62		Relay (1.0) Calculated Property
logPoct/wat	4.267		Crippen Calculated Property
McVol	255.670	ml/mol	McGowan Calculated Property
Pc	1349.66	kPa	Joback Calculated Property
Inp	[1927.00; 1927.00]
Inp	1927.00		NIST
Inp	1927.00		NIST
Tboil	606.03	K	Relay (1.0) Calculated Property
Tc	764.31	K	Relay (1.0) Calculated Property
Tfus	304.92	K	Relay (1.0) Calculated Property
Vc	0.952	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.24; 836.67]	J/mol×K	[751.65; 931.13]
Cp,gas	773.24	J/mol×K	751.65	Joback Calculated Property
Cp,gas	785.88	J/mol×K	781.56	Joback Calculated Property
Cp,gas	797.62	J/mol×K	811.48	Joback Calculated Property
Cp,gas	808.51	J/mol×K	841.39	Joback Calculated Property
Cp,gas	818.61	J/mol×K	871.31	Joback Calculated Property
Cp,gas	827.98	J/mol×K	901.22	Joback Calculated Property
Cp,gas	836.67	J/mol×K	931.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl phenethyl ester.

Sources

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

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