Chemical Properties of Pentafluoropropionic acid, undecyl ester (CAS 959014-11-0)

InChI

InChI=1S/C14H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-21-12(20)13(15,16)14(17,18)19/h2-11H2,1H3

InChI Key

YZILLGCYNLQMIQ-UHFFFAOYSA-N

Formula

C14H23F5O2

SMILES

CCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

318.32

CAS

959014-11-0

Other Names

• Undecyl 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	0.7427		Relay (1.0) Calculated Property
ΔfH°gas	-1655.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.96	kJ/mol	Joback Calculated Property
ΔvapH°	72.79	kJ/mol	Relay (1.0) Calculated Property
IE	10.55	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	5.258		Crippen Calculated Property
McVol	224.410	ml/mol	McGowan Calculated Property
Pc	1328.10	kPa	Joback Calculated Property
Inp	[1355.00; 1357.30]
Inp	1355.00		NIST
Inp	1357.30		NIST
Inp	1357.30		NIST
Tboil	485.54	K	Relay (1.0) Calculated Property
Tc	609.75	K	Relay (1.0) Calculated Property
Tfus	252.17	K	Relay (1.0) Calculated Property
Vc	0.859	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	[356.89; 788.00]	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			-2.92000e+00
Coefficient B			1.58962e+00
Coefficient C			-1.06880e-03
Coefficient D			2.70100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.89	J/mol×K	273.00	Calculated Property
Cp,gas	437.64	J/mol×K	353.78	Calculated Property
Cp,gas	508.19	J/mol×K	434.56	Calculated Property
Cp,gas	569.39	J/mol×K	515.33	Calculated Property
Cp,gas	622.09	J/mol×K	596.11	Calculated Property
Cp,gas	667.14	J/mol×K	676.89	Calculated Property
Cp,gas	705.41	J/mol×K	757.67	Calculated Property
Cp,gas	737.73	J/mol×K	838.44	Calculated Property
Cp,gas	764.98	J/mol×K	919.22	Calculated Property
Cp,gas	788.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentafluoropropionic acid, undecyl ester.

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.
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