Chemical Properties of Octyl pentafluoropropionate

InChI

InChI=1S/C11H17F5O2/c1-2-3-4-5-6-7-8-18-9(17)10(12,13)11(14,15)16/h2-8H2,1H3

InChI Key

ZPVRQKZQZAFDCY-UHFFFAOYSA-N

Formula

C11H17F5O2

SMILES

CCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

276.24

• 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.
• I_p : 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	0.6297		Relay (1.0) Calculated Property
ΔfH°gas	-1592.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.19	kJ/mol	Joback Calculated Property
ΔvapH°	58.77	kJ/mol	Relay (1.0) Calculated Property
IE	10.64	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.088		Crippen Calculated Property
McVol	182.140	ml/mol	McGowan Calculated Property
Pc	1657.84	kPa	Joback Calculated Property
Inp	[1062.00; 1078.00]
Inp	1062.00		NIST
Inp	1071.00		NIST
Inp	1078.00		NIST
Inp	1076.60		NIST
Inp	1062.00		NIST
Inp	1076.60		NIST
Ip	[1114.00; 1120.00]
Ip	1120.00		NIST
Ip	1114.00		NIST
Tboil	442.44	K	Relay (1.0) Calculated Property
Tc	567.83	K	Relay (1.0) Calculated Property
Tfus	229.86	K	Relay (1.0) Calculated Property
Vc	0.693	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	[293.24; 633.23]	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			-1.93000e-01
Coefficient B			1.30462e+00
Coefficient C			-9.05600e-04
Coefficient D			2.34400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.24	J/mol×K	273.00	Calculated Property
Cp,gas	358.39	J/mol×K	353.78	Calculated Property
Cp,gas	414.96	J/mol×K	434.56	Calculated Property
Cp,gas	463.70	J/mol×K	515.33	Calculated Property
Cp,gas	505.35	J/mol×K	596.11	Calculated Property
Cp,gas	540.66	J/mol×K	676.89	Calculated Property
Cp,gas	570.36	J/mol×K	757.67	Calculated Property
Cp,gas	595.19	J/mol×K	838.44	Calculated Property
Cp,gas	615.90	J/mol×K	919.22	Calculated Property
Cp,gas	633.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Octyl pentafluoropropionate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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