Chemical Properties of Isoflurane (CAS 26675-46-7)

InChI

InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H

InChI Key

PIWKPBJCKXDKJR-UHFFFAOYSA-N

Formula

C3H2ClF5O

SMILES

FC(F)OC(Cl)C(F)(F)F

Molecular Weight¹

184.49

CAS

26675-46-7

Other Names

• 1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether
• 2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
• Aerrane
• Compd 469
• Compound 469
• Ethane, 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-
• Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-
• Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl
• Forane
• Forene
• IsoFlo
• R-E 235dal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.85	kJ/mol	Joback Calculated Property
logPoct/wat	2.353		Crippen Calculated Property
McVol	80.090	ml/mol	McGowan Calculated Property
Pc	3046.00 ± 5.00	kPa	NIST
Inp	[454.00; 454.00]
Inp	454.00		NIST
Inp	454.00		NIST
Inp	454.00		NIST
Tboil	321.60	K	NIST
Tc	467.80 ± 0.02	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.38; 181.82]	J/mol×K	[320.13; 465.94]
Cp,gas	149.38	J/mol×K	320.13	Joback Calculated Property
Cp,gas	155.44	J/mol×K	344.43	Joback Calculated Property
Cp,gas	161.23	J/mol×K	368.73	Joback Calculated Property
Cp,gas	166.76	J/mol×K	393.04	Joback Calculated Property
Cp,gas	172.03	J/mol×K	417.34	Joback Calculated Property
Cp,gas	177.05	J/mol×K	441.64	Joback Calculated Property
Cp,gas	181.82	J/mol×K	465.94	Joback Calculated Property
ΔvapH	[31.70; 31.90]	kJ/mol	[297.50; 312.00]
ΔvapH	31.90	kJ/mol	297.50	NIST
ΔvapH	31.70	kJ/mol	312.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 205.38]	kPa	[238.62; 343.03]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40343e+01
Coefficient B			-2.48159e+03
Coefficient C			-5.81000e+01
Temperature range, min.			238.62
Temperature range, max.			343.03
Pvap	1.33	kPa	238.62	Calculated Property
Pvap	3.06	kPa	250.22	Calculated Property
Pvap	6.38	kPa	261.82	Calculated Property
Pvap	12.30	kPa	273.42	Calculated Property
Pvap	22.17	kPa	285.02	Calculated Property
Pvap	37.73	kPa	296.63	Calculated Property
Pvap	61.13	kPa	308.23	Calculated Property
Pvap	94.89	kPa	319.83	Calculated Property
Pvap	141.91	kPa	331.43	Calculated Property
Pvap	205.38	kPa	343.03	Calculated Property

Similar Compounds

Find more compounds similar to Isoflurane.

Sources

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

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