Chemical Properties of 3-Oxypentanol, 5-chloro, pentafluoropropionate

InChI

InChI=1S/C7H8ClF5O3/c8-1-2-15-3-4-16-5(14)6(9,10)7(11,12)13/h1-4H2

InChI Key

JXWZRNYDHAXBRJ-UHFFFAOYSA-N

Formula

C7H8ClF5O3

SMILES

O=C(OCCOCCCl)C(F)(F)C(F)(F)F

Molecular Weight¹

270.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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°	24.21	kJ/mol	Joback Calculated Property
logPoct/wat	1.983		Crippen Calculated Property
McVol	143.890	ml/mol	McGowan Calculated Property
Inp	[909.00; 909.00]
Inp	909.00		NIST
Inp	909.00		NIST
Tboil	434.34	K	Relay (1.0) Calculated Property
Tfus	224.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[331.65; 385.64]	J/mol×K	[467.72; 625.42]
Cp,gas	331.65	J/mol×K	467.72	Joback Calculated Property
Cp,gas	341.94	J/mol×K	494.00	Joback Calculated Property
Cp,gas	351.69	J/mol×K	520.29	Joback Calculated Property
Cp,gas	360.92	J/mol×K	546.57	Joback Calculated Property
Cp,gas	369.65	J/mol×K	572.85	Joback Calculated Property
Cp,gas	377.88	J/mol×K	599.14	Joback Calculated Property
Cp,gas	385.64	J/mol×K	625.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Oxypentanol, 5-chloro, pentafluoropropionate.

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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