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

InChI

InChI=1S/C15H21F7O4/c1-2-3-4-5-6-9-25-11(23)7-8-12(24)26-10-13(16,17)14(18,19)15(20,21)22/h2-10H2,1H3

InChI Key

HUGRRFCGBXKKPR-UHFFFAOYSA-N

Formula

C15H21F7O4

SMILES

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

Molecular Weight¹

398.31

• 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	0.8616		Relay (1.0) Calculated Property
ΔfG°	-1747.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-2382.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.50	kJ/mol	Joback Calculated Property
ΔvapH°	78.02	kJ/mol	Relay (1.0) Calculated Property
IE	10.25	eV	Relay (1.0) Calculated Property
log10WS	-5.62		Relay (1.0) Calculated Property
logPoct/wat	4.656		Crippen Calculated Property
McVol	249.480	ml/mol	McGowan Calculated Property
Pc	1253.92	kPa	Joback Calculated Property
Inp	[1587.00; 1587.00]
Inp	1587.00		NIST
Inp	1587.00		NIST
Tboil	532.78	K	Relay (1.0) Calculated Property
Tc	643.87	K	Relay (1.0) Calculated Property
Tfus	247.11	K	Relay (1.0) Calculated Property
Vc	0.947	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.59; 812.09]	J/mol×K	[680.38; 841.49]
Cp,gas	739.59	J/mol×K	680.38	Joback Calculated Property
Cp,gas	753.50	J/mol×K	707.23	Joback Calculated Property
Cp,gas	766.63	J/mol×K	734.08	Joback Calculated Property
Cp,gas	779.03	J/mol×K	760.93	Joback Calculated Property
Cp,gas	790.71	J/mol×K	787.79	Joback Calculated Property
Cp,gas	801.72	J/mol×K	814.64	Joback Calculated Property
Cp,gas	812.09	J/mol×K	841.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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