Chemical Properties of Succinic acid, hexyl 2,2,2-trifluoroethyl ester

InChI

InChI=1S/C12H19F3O4/c1-2-3-4-5-8-18-10(16)6-7-11(17)19-9-12(13,14)15/h2-9H2,1H3

InChI Key

HXUKNYVIZNJLOI-UHFFFAOYSA-N

Formula

C12H19F3O4

SMILES

CCCCCCOC(=O)CCC(=O)OCC(F)(F)F

Molecular Weight¹

284.27

• 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	0.7649		Relay (1.0) Calculated Property
ΔfG°	-999.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1543.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.24	kJ/mol	Joback Calculated Property
ΔvapH°	69.73	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	2.996		Crippen Calculated Property
McVol	200.130	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[1450.00; 1450.00]
Inp	1450.00		NIST
Inp	1450.00		NIST
Tboil	513.47	K	Relay (1.0) Calculated Property
Tc	664.62	K	Relay (1.0) Calculated Property
Tfus	264.27	K	Relay (1.0) Calculated Property
Vc	0.763	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.13; 614.53]	J/mol×K	[621.12; 787.51]
Cp,gas	543.13	J/mol×K	621.12	Joback Calculated Property
Cp,gas	556.57	J/mol×K	648.85	Joback Calculated Property
Cp,gas	569.37	J/mol×K	676.58	Joback Calculated Property
Cp,gas	581.56	J/mol×K	704.31	Joback Calculated Property
Cp,gas	593.14	J/mol×K	732.04	Joback Calculated Property
Cp,gas	604.13	J/mol×K	759.78	Joback Calculated Property
Cp,gas	614.53	J/mol×K	787.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hexyl 2,2,2-trifluoroethyl ester.

Sources

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

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