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

InChI

InChI=1S/C16H23F7O4/c1-2-3-4-5-6-7-10-26-12(24)8-9-13(25)27-11-14(17,18)15(19,20)16(21,22)23/h2-11H2,1H3

InChI Key

YVFXZPNCHRNERW-UHFFFAOYSA-N

Formula

C16H23F7O4

SMILES

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

Molecular Weight¹

412.34

• 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	0.8994		Relay (1.0) Calculated Property
ΔfG°	-1739.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-2400.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.09	kJ/mol	Joback Calculated Property
ΔvapH°	81.64	kJ/mol	Relay (1.0) Calculated Property
IE	10.22	eV	Relay (1.0) Calculated Property
log10WS	-5.96		Relay (1.0) Calculated Property
logPoct/wat	5.046		Crippen Calculated Property
McVol	263.570	ml/mol	McGowan Calculated Property
Pc	1172.83	kPa	Joback Calculated Property
Inp	[1677.00; 1677.00]
Inp	1677.00		NIST
Inp	1677.00		NIST
Tboil	544.57	K	Relay (1.0) Calculated Property
Tc	655.16	K	Relay (1.0) Calculated Property
Tfus	251.80	K	Relay (1.0) Calculated Property
Vc	1.001	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.63; 869.51]	J/mol×K	[703.26; 866.49]
Cp,gas	794.63	J/mol×K	703.26	Joback Calculated Property
Cp,gas	809.01	J/mol×K	730.46	Joback Calculated Property
Cp,gas	822.57	J/mol×K	757.67	Joback Calculated Property
Cp,gas	835.37	J/mol×K	784.87	Joback Calculated Property
Cp,gas	847.43	J/mol×K	812.08	Joback Calculated Property
Cp,gas	858.80	J/mol×K	839.28	Joback Calculated Property
Cp,gas	869.51	J/mol×K	866.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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