Chemical Properties of Sevoflurane (CAS 28523-86-6)

InChI

InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2

InChI Key

DFEYYRMXOJXZRJ-UHFFFAOYSA-N

Formula

C4H3F7O

SMILES

FCOC(C(F)(F)F)C(F)(F)F

Molecular Weight¹

200.05

CAS

28523-86-6

Other Names

• 1,1,1,3,3,3-Hexafluoro-2-fluoromethoxypropane

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.51	kJ/mol	Joback Calculated Property
logPoct/wat	2.423		Crippen Calculated Property
McVol	85.480	ml/mol	McGowan Calculated Property
Inp	[409.00; 409.00]
Inp	409.00		NIST
Inp	409.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[170.98; 213.17]	J/mol×K	[301.53; 429.72]
Cp,gas	170.98	J/mol×K	301.53	Joback Calculated Property
Cp,gas	178.86	J/mol×K	322.90	Joback Calculated Property
Cp,gas	186.39	J/mol×K	344.26	Joback Calculated Property
Cp,gas	193.57	J/mol×K	365.63	Joback Calculated Property
Cp,gas	200.43	J/mol×K	386.99	Joback Calculated Property
Cp,gas	206.96	J/mol×K	408.36	Joback Calculated Property
Cp,gas	213.17	J/mol×K	429.72	Joback Calculated Property
ΔvapH	34.10	kJ/mol	309.50	NIST

Similar Compounds

Find more compounds similar to Sevoflurane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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