Chemical Properties of Pentyl pentafluoropropionate

InChI

InChI=1S/C8H11F5O2/c1-2-3-4-5-15-6(14)7(9,10)8(11,12)13/h2-5H2,1H3

InChI Key

BPYYNYLCDRAOKR-UHFFFAOYSA-N

Formula

C8H11F5O2

SMILES

CCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

234.16

Other Names

• Pentyl 2,2,3,3,3-pentafluoropropanoate
• 1-Pentanol, pentafluoropropionate
• 2,2,3,3,3-Pentafluoro-propionic acid pentyl ester
• Pentyl pentafluoropropanoate
• Propanoic acid, pentafluoro, pentyl ester

• 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	0.5071		Relay (1.0) Calculated Property
ΔfH°gas	-1534.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.42	kJ/mol	Joback Calculated Property
ΔvapH°	46.27	kJ/mol	Relay (1.0) Calculated Property
IE	10.99	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	2.917		Crippen Calculated Property
McVol	139.870	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[780.70; 802.50]
Inp	781.00		NIST
Inp	780.70		NIST
Inp	784.00		NIST
Inp	798.00		NIST
Inp	802.50		NIST
Ip	820.00		NIST
Tboil	394.86	K	Relay (1.0) Calculated Property
Tc	519.86	K	Relay (1.0) Calculated Property
Tfus	206.55	K	Relay (1.0) Calculated Property
Vc	0.527	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	[229.60; 478.45]	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			2.53400e+00
Coefficient B			1.01962e+00
Coefficient C			-7.42400e-04
Coefficient D			1.98700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.60	J/mol×K	273.00	Calculated Property
Cp,gas	279.13	J/mol×K	353.78	Calculated Property
Cp,gas	321.73	J/mol×K	434.56	Calculated Property
Cp,gas	358.01	J/mol×K	515.33	Calculated Property
Cp,gas	388.62	J/mol×K	596.11	Calculated Property
Cp,gas	414.18	J/mol×K	676.89	Calculated Property
Cp,gas	435.31	J/mol×K	757.67	Calculated Property
Cp,gas	452.65	J/mol×K	838.44	Calculated Property
Cp,gas	466.82	J/mol×K	919.22	Calculated Property
Cp,gas	478.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentyl pentafluoropropionate.

Sources

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

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