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

• 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).
• 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
ΔfG°	-995.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1408.89	kJ/mol	Joback Calculated Property
ΔfusH°	29.78	kJ/mol	Joback Calculated Property
ΔvapH°	58.32	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen 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	643.12	K	Joback Calculated Property
Tc	813.93	K	Joback Calculated Property
Tfus	354.78	K	Joback Calculated Property
Vc	0.843	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.