Chemical Properties of 3-Ethoxy-1-propanol, pentafluoropropionate

InChI

InChI=1S/C8H11F5O3/c1-2-15-4-3-5-16-6(14)7(9,10)8(11,12)13/h2-5H2,1H3

InChI Key

XADOXDYRCSSODB-UHFFFAOYSA-N

Formula

C8H11F5O3

SMILES

CCOCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

250.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1667.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.60	kJ/mol	Joback Calculated Property
ΔvapH°	51.84	kJ/mol	Relay (1.0) Calculated Property
IE	10.59	eV	Relay (1.0) Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	145.740	ml/mol	McGowan Calculated Property
Inp	[911.00; 911.00]
Inp	911.00		NIST
Inp	911.00		NIST
Tboil	415.11	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.01; 496.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.80340e+01
Coefficient B			9.56420e-01
Coefficient C			-6.31400e-04
Coefficient D			1.43900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.01	J/mol×K	273.00	Calculated Property
Cp,gas	293.74	J/mol×K	353.78	Calculated Property
Cp,gas	336.23	J/mol×K	434.56	Calculated Property
Cp,gas	372.92	J/mol×K	515.33	Calculated Property
Cp,gas	404.28	J/mol×K	596.11	Calculated Property
Cp,gas	430.76	J/mol×K	676.89	Calculated Property
Cp,gas	452.81	J/mol×K	757.67	Calculated Property
Cp,gas	470.89	J/mol×K	838.44	Calculated Property
Cp,gas	485.45	J/mol×K	919.22	Calculated Property
Cp,gas	496.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethoxy-1-propanol, 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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