Chemical Properties of Acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester (CAS 407-38-5)

InChI

InChI=1S/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2

InChI Key

ZKUJOCJJXCPCFS-UHFFFAOYSA-N

Formula

C4H2F6O2

SMILES

O=C(OCC(F)(F)F)C(F)(F)F

Molecular Weight¹

196.05

CAS

407-38-5

Other Names

• 2,2,2-Trifluoroethyl trifluoroacetate
• CF3C(O)OCH2CF3
• Trifluoroacetic acid trifluoroethyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• 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°	-1414.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1564.85	kJ/mol	Joback Calculated Property
ΔfusH°	12.55	kJ/mol	Joback Calculated Property
ΔvapH°	26.16	kJ/mol	Joback Calculated Property
log10WS	-1.68		Crippen Calculated Property
logPoct/wat	1.654		Crippen Calculated Property
McVol	85.280	ml/mol	McGowan Calculated Property
Pc	3127.99	kPa	Joback Calculated Property
Tboil	[328.00; 328.20]	K
Tboil	328.00	K	NIST
Tboil	328.20	K	NIST
Tc	502.85	K	Joback Calculated Property
Tfus	215.38	K	Joback Calculated Property
Vc	0.369	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.39; 220.06]	J/mol×K	[356.37; 502.85]
Cp,gas	181.39	J/mol×K	356.37	Joback Calculated Property
Cp,gas	188.79	J/mol×K	380.78	Joback Calculated Property
Cp,gas	195.79	J/mol×K	405.20	Joback Calculated Property
Cp,gas	202.40	J/mol×K	429.61	Joback Calculated Property
Cp,gas	208.64	J/mol×K	454.03	Joback Calculated Property
Cp,gas	214.53	J/mol×K	478.44	Joback Calculated Property
Cp,gas	220.06	J/mol×K	502.85	Joback Calculated Property
ΔvapH	31.80	kJ/mol	330.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[239.27; 348.76]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62909e+01
Coefficient B			-3.82920e+03
Temperature range, min.			239.27
Temperature range, max.			348.76
Pvap	1.33	kPa	239.27	Calculated Property
Pvap	2.89	kPa	251.44	Calculated Property
Pvap	5.84	kPa	263.60	Calculated Property
Pvap	11.08	kPa	275.77	Calculated Property
Pvap	19.92	kPa	287.93	Calculated Property
Pvap	34.16	kPa	300.10	Calculated Property
Pvap	56.16	kPa	312.26	Calculated Property
Pvap	88.95	kPa	324.43	Calculated Property
Pvap	136.27	kPa	336.59	Calculated Property
Pvap	202.65	kPa	348.76	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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