Chemical Properties of Heptadecyl pentafluoropropionate

InChI

InChI=1S/C20H35F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-18(26)19(21,22)20(23,24)25/h2-17H2,1H3

InChI Key

YUZPMKBRUISFHZ-UHFFFAOYSA-N

Formula

C20H35F5O2

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

402.49

• 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	0.9601		Relay (1.0) Calculated Property
ΔfH°gas	-1773.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.50	kJ/mol	Joback Calculated Property
ΔvapH°	97.71	kJ/mol	Relay (1.0) Calculated Property
IE	10.56	eV	Relay (1.0) Calculated Property
log10WS	-7.84		Relay (1.0) Calculated Property
logPoct/wat	7.599		Crippen Calculated Property
McVol	308.950	ml/mol	McGowan Calculated Property
Pc	907.24	kPa	Joback Calculated Property
Inp	[1909.00; 1912.70]
Inp	1909.00		NIST
Inp	1912.70		NIST
Inp	1912.70		NIST
Inp	1909.00		NIST
Tboil	559.16	K	Relay (1.0) Calculated Property
Tc	682.41	K	Relay (1.0) Calculated Property
Tfus	284.78	K	Relay (1.0) Calculated Property
Vc	1.185	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	[484.17; 1097.55]	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			-8.37400e+00
Coefficient B			2.15962e+00
Coefficient C			-1.39520e-03
Coefficient D			3.41500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	484.17	J/mol×K	273.00	Calculated Property
Cp,gas	596.15	J/mol×K	353.78	Calculated Property
Cp,gas	694.66	J/mol×K	434.56	Calculated Property
Cp,gas	780.77	J/mol×K	515.33	Calculated Property
Cp,gas	855.56	J/mol×K	596.11	Calculated Property
Cp,gas	920.11	J/mol×K	676.89	Calculated Property
Cp,gas	975.51	J/mol×K	757.67	Calculated Property
Cp,gas	1022.82	J/mol×K	838.44	Calculated Property
Cp,gas	1063.14	J/mol×K	919.22	Calculated Property
Cp,gas	1097.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecyl pentafluoropropionate.

Sources

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

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