Chemical Properties of 2-Isopentoxyethyl trifluoroacetate

InChI

InChI=1S/C9H15F3O3/c1-7(2)3-4-14-5-6-15-8(13)9(10,11)12/h7H,3-6H2,1-2H3

InChI Key

UZIQAFXKDBUWMR-UHFFFAOYSA-N

Formula

C9H15F3O3

SMILES

CC(C)CCOCCOC(=O)C(F)(F)F

Molecular Weight¹

228.21

• 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°	-898.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1208.47	kJ/mol	Joback Calculated Property
ΔfusH°	21.34	kJ/mol	Joback Calculated Property
ΔvapH°	43.06	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	2.155		Crippen Calculated Property
McVol	156.290	ml/mol	McGowan Calculated Property
Pc	2141.36	kPa	Joback Calculated Property
Inp	[1022.30; 1022.30]
Inp	1022.30		NIST
Inp	1022.30		NIST
Tboil	498.17	K	Joback Calculated Property
Tc	660.74	K	Joback Calculated Property
Tfus	274.77	K	Joback Calculated Property
Vc	0.619	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.95; 443.77]	J/mol×K	[498.17; 660.74]
Cp,gas	375.95	J/mol×K	498.17	Joback Calculated Property
Cp,gas	388.50	J/mol×K	525.27	Joback Calculated Property
Cp,gas	400.54	J/mol×K	552.36	Joback Calculated Property
Cp,gas	412.08	J/mol×K	579.46	Joback Calculated Property
Cp,gas	423.13	J/mol×K	606.55	Joback Calculated Property
Cp,gas	433.69	J/mol×K	633.65	Joback Calculated Property
Cp,gas	443.77	J/mol×K	660.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Isopentoxyethyl trifluoroacetate.

Sources

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

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