Chemical Properties of Heneicosyl pentafluoropropionate

InChI

InChI=1S/C24H43F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-22(30)23(25,26)24(27,28)29/h2-21H2,1H3

InChI Key

YUWKLSZGOWPPPE-UHFFFAOYSA-N

Formula

C24H43F5O2

SMILES

CCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

458.59

Other Names

• Heneicosyl 2,2,3,3,3-pentafluoropropanoate
• 1-Heneicosanol, pentafluoropropionate

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	1.1012		Relay (1.0) Calculated Property
ΔfH°gas	-1852.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.86	kJ/mol	Joback Calculated Property
ΔvapH°	114.54	kJ/mol	Relay (1.0) Calculated Property
IE	10.65	eV	Relay (1.0) Calculated Property
log10WS	-8.97		Relay (1.0) Calculated Property
logPoct/wat	9.159		Crippen Calculated Property
McVol	365.310	ml/mol	McGowan Calculated Property
Pc	728.88	kPa	Joback Calculated Property
Inp	[2294.60; 2294.60]
Inp	2294.60		NIST
Inp	2294.60		NIST
Tboil	598.99	K	Relay (1.0) Calculated Property
Tc	722.45	K	Relay (1.0) Calculated Property
Tfus	298.85	K	Relay (1.0) Calculated Property
Vc	1.402	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.02; 1303.91]	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			-1.20100e+01
Coefficient B			2.53962e+00
Coefficient C			-1.61280e-03
Coefficient D			3.89100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	569.02	J/mol×K	273.00	Calculated Property
Cp,gas	701.82	J/mol×K	353.78	Calculated Property
Cp,gas	818.97	J/mol×K	434.56	Calculated Property
Cp,gas	921.68	J/mol×K	515.33	Calculated Property
Cp,gas	1011.20	J/mol×K	596.11	Calculated Property
Cp,gas	1088.75	J/mol×K	676.89	Calculated Property
Cp,gas	1155.57	J/mol×K	757.67	Calculated Property
Cp,gas	1212.88	J/mol×K	838.44	Calculated Property
Cp,gas	1261.92	J/mol×K	919.22	Calculated Property
Cp,gas	1303.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Heneicosyl pentafluoropropionate.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.