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

Other Names

• Heptadecyl 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	0.9601		Relay (1.0) Calculated Property
ΔfH°gas	-1773.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.91	kJ/mol	Joback Calculated Property
ΔvapH°	96.34	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	930.07	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	677.49	K	Relay (1.0) Calculated Property
Tfus	286.98	K	Relay (1.0) Calculated Property
Vc	1.182	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[949.84; 1046.06]	J/mol×K	[723.18; 887.32]
Cp,gas	949.84	J/mol×K	723.18	Joback Calculated Property
Cp,gas	968.01	J/mol×K	750.54	Joback Calculated Property
Cp,gas	985.27	J/mol×K	777.89	Joback Calculated Property
Cp,gas	1001.67	J/mol×K	805.25	Joback Calculated Property
Cp,gas	1017.24	J/mol×K	832.61	Joback Calculated Property
Cp,gas	1032.02	J/mol×K	859.96	Joback Calculated Property
Cp,gas	1046.06	J/mol×K	887.32	Joback 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

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.