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

InChI

InChI=1S/C21H33F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-31-17(29)13-14-18(30)32-16-19(22,23)20(24,25)21(26,27)28/h2-16H2,1H3

InChI Key

RFNDAJAYOJEQNL-UHFFFAOYSA-N

Formula

C21H33F7O4

SMILES

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

Molecular Weight¹

482.47

• 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	1.0831		Relay (1.0) Calculated Property
ΔfG°	-1697.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-2493.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.04	kJ/mol	Joback Calculated Property
ΔvapH°	102.46	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-7.49		Relay (1.0) Calculated Property
logPoct/wat	6.997		Crippen Calculated Property
McVol	334.020	ml/mol	McGowan Calculated Property
Pc	865.05	kPa	Joback Calculated Property
Inp	[2147.00; 2147.00]
Inp	2147.00		NIST
Inp	2147.00		NIST
Tboil	600.80	K	Relay (1.0) Calculated Property
Tc	705.39	K	Relay (1.0) Calculated Property
Tfus	275.20	K	Relay (1.0) Calculated Property
Vc	1.270	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1084.34; 1172.33]	J/mol×K	[817.66; 1001.67]
Cp,gas	1084.34	J/mol×K	817.66	Joback Calculated Property
Cp,gas	1101.42	J/mol×K	848.33	Joback Calculated Property
Cp,gas	1117.45	J/mol×K	879.00	Joback Calculated Property
Cp,gas	1132.49	J/mol×K	909.66	Joback Calculated Property
Cp,gas	1146.61	J/mol×K	940.33	Joback Calculated Property
Cp,gas	1159.87	J/mol×K	971.00	Joback Calculated Property
Cp,gas	1172.33	J/mol×K	1001.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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