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

InChI

InChI=1S/C28H47F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38-24(36)20-21-25(37)39-23-26(29,30)27(31,32)28(33,34)35/h2-23H2,1H3

InChI Key

REHPFPKNOBXOQJ-UHFFFAOYSA-N

Formula

C28H47F7O4

SMILES

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

Molecular Weight¹

580.66

• 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	1.3334		Relay (1.0) Calculated Property
ΔfG°	-1638.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2629.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.17	kJ/mol	Joback Calculated Property
ΔvapH°	129.35	kJ/mol	Relay (1.0) Calculated Property
IE	10.41	eV	Relay (1.0) Calculated Property
log10WS	-9.32		Relay (1.0) Calculated Property
logPoct/wat	9.728		Crippen Calculated Property
McVol	432.650	ml/mol	McGowan Calculated Property
Pc	603.09	kPa	Joback Calculated Property
Inp	[2805.00; 2805.00]
Inp	2805.00		NIST
Inp	2805.00		NIST
Tboil	661.19	K	Relay (1.0) Calculated Property
Tc	764.77	K	Relay (1.0) Calculated Property
Tfus	300.05	K	Relay (1.0) Calculated Property
Vc	1.644	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1520.38; 1638.09]	J/mol×K	[977.82; 1233.31]
Cp,gas	1520.38	J/mol×K	977.82	Joback Calculated Property
Cp,gas	1543.79	J/mol×K	1020.40	Joback Calculated Property
Cp,gas	1565.41	J/mol×K	1062.98	Joback Calculated Property
Cp,gas	1585.44	J/mol×K	1105.56	Joback Calculated Property
Cp,gas	1604.09	J/mol×K	1148.15	Joback Calculated Property
Cp,gas	1621.57	J/mol×K	1190.73	Joback Calculated Property
Cp,gas	1638.09	J/mol×K	1233.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, eicosyl 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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