Chemical Properties of Enflurane (CAS 13838-16-9)

InChI

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

InChI Key

JPGQOUSTVILISH-UHFFFAOYSA-N

Formula

C3H2ClF5O

SMILES

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

Molecular Weight¹

184.49

CAS

13838-16-9

Other Names

• Ethane, 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoro-
• Ether, 2-chloro-1,1,2-trifluoroethyl difluoromethyl
• Compound 347
• Ethrane
• Ohio 347
• 2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
• 347
• Anesthetic Compound No. 347
• Anesthetic 347
• C 347
• Efrane
• Methylflurether
• 2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
• NSC-115944
• 2-Chloro-1,1,2-difluoroethane, 1-difluoromethoxy-
• Alyrane

• 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).
• 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.
• I : 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°	-1118.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1253.07	kJ/mol	Joback Calculated Property
ΔfusH°	9.85	kJ/mol	Joback Calculated Property
ΔvapH°	[32.60; 32.74]	kJ/mol
ΔvapH°	32.74	kJ/mol	NIST
ΔvapH°	32.60 ± 0.10	kJ/mol	NIST
IE	[11.70; 12.20]	eV
IE	11.70	eV	NIST
IE	12.20	eV	NIST
log10WS	-2.40		Crippen Calculated Property
logPoct/wat	2.353		Crippen Calculated Property
McVol	80.090	ml/mol	McGowan Calculated Property
Pc	2980.00 ± 5.00	kPa	NIST
Inp	[462.00; 494.00]
Inp	486.00		NIST
Inp	478.00		NIST
Inp	478.00		NIST
Inp	462.00		NIST
Inp	494.00		NIST
Inp	462.00		NIST
Inp	486.00		NIST
Inp	478.00		NIST
I	[840.00; 840.00]
I	840.00		NIST
I	840.00		NIST
Tboil	[329.70; 330.10]	K
Tboil	329.70	K	NIST
Tboil	330.10	K	NIST
Tc	[474.30; 475.03]	K
Tc	475.03 ± 0.02	K	NIST
Tc	474.30	K	NIST
Tfus	151.09	K	Joback Calculated Property
Vc	0.338	m3/kmol	Joback Calculated Property

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	[29.10; 33.80]	kJ/mol	[309.50; 343.00]
ΔvapH	32.90	kJ/mol	309.50	NIST
ΔvapH	33.80	kJ/mol	312.50	NIST
ΔvapH	31.30 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	30.20 ± 0.10	kJ/mol	328.00	NIST
ΔvapH	30.09	kJ/mol	330.10	NIST
ΔvapH	29.10 ± 0.10	kJ/mol	343.00	NIST

Similar Compounds

Find more compounds similar to Enflurane.

Sources

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

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