Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 3-hexyl ester

InChI

InChI=1S/C13H21F3O4/c1-4-6-10(5-2)20-12(18)8-7-11(17)19-9(3)13(14,15)16/h9-10H,4-8H2,1-3H3

InChI Key

NLUMOLXVYBSFOW-UHFFFAOYSA-N

Formula

C13H21F3O4

SMILES

CCCC(CC)OC(=O)CCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

298.30

• 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	0.7074		Relay (1.0) Calculated Property
ΔfG°	-995.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1589.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.78	kJ/mol	Joback Calculated Property
ΔvapH°	70.14	kJ/mol	Relay (1.0) Calculated Property
IE	10.23	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	3.383		Crippen Calculated Property
McVol	214.220	ml/mol	McGowan Calculated Property
Pc	1633.81	kPa	Joback Calculated Property
Inp	[1385.00; 1385.00]
Inp	1385.00		NIST
Inp	1385.00		NIST
Tboil	502.20	K	Relay (1.0) Calculated Property
Tc	645.90	K	Relay (1.0) Calculated Property
Tfus	243.73	K	Relay (1.0) Calculated Property
Vc	0.792	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.03; 672.20]	J/mol×K	[643.12; 813.93]
Cp,gas	596.03	J/mol×K	643.12	Joback Calculated Property
Cp,gas	610.47	J/mol×K	671.59	Joback Calculated Property
Cp,gas	624.20	J/mol×K	700.06	Joback Calculated Property
Cp,gas	637.22	J/mol×K	728.53	Joback Calculated Property
Cp,gas	649.55	J/mol×K	756.99	Joback Calculated Property
Cp,gas	661.20	J/mol×K	785.46	Joback Calculated Property
Cp,gas	672.20	J/mol×K	813.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 3-hexyl ester.

Sources

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

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