Chemical Properties of 1-Heptafluorobutyryloxy-2-phenylethane

InChI

InChI=1S/C12H9F7O2/c13-10(14,11(15,16)12(17,18)19)9(20)21-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI Key

HUHVUDFNUXMVGY-UHFFFAOYSA-N

Formula

C12H9F7O2

SMILES

O=C(OCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

318.19

Other Names

• 2-Phenylethanol, heptafluorobutanoate

• 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 standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.56	kJ/mol	Joback Calculated Property
ΔvapH°	68.71	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.605		Crippen Calculated Property
McVol	176.010	ml/mol	McGowan Calculated Property
Inp	[1157.00; 1157.00]
Inp	1157.00		NIST
Inp	1157.00		NIST
Tboil	483.71	K	Relay (1.0) Calculated Property
Tfus	227.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[455.82; 523.28]	J/mol×K	[544.26; 718.48]
Cp,gas	455.82	J/mol×K	544.26	Joback Calculated Property
Cp,gas	469.36	J/mol×K	573.30	Joback Calculated Property
Cp,gas	481.91	J/mol×K	602.33	Joback Calculated Property
Cp,gas	493.52	J/mol×K	631.37	Joback Calculated Property
Cp,gas	504.25	J/mol×K	660.41	Joback Calculated Property
Cp,gas	514.16	J/mol×K	689.44	Joback Calculated Property
Cp,gas	523.28	J/mol×K	718.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptafluorobutyryloxy-2-phenylethane.

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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