Chemical Properties of Hexacosyl pentafluoropropionate

InChI

InChI=1S/C29H53F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36-27(35)28(30,31)29(32,33)34/h2-26H2,1H3

InChI Key

PAKFICMSOWIPAA-UHFFFAOYSA-N

Formula

C29H53F5O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

528.72

Other Names

• Hexacosyl 2,2,3,3,3-pentafluoropropanoate
• 1-Hexacosanol, 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	1.2759		Relay (1.0) Calculated Property
ΔfH°gas	-1948.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.22	kJ/mol	Joback Calculated Property
ΔvapH°	134.25	kJ/mol	Relay (1.0) Calculated Property
IE	10.79	eV	Relay (1.0) Calculated Property
log10WS	-10.39		Relay (1.0) Calculated Property
logPoct/wat	11.110		Crippen Calculated Property
McVol	435.760	ml/mol	McGowan Calculated Property
Pc	582.60	kPa	Joback Calculated Property
Inp	[2769.50; 2769.50]
Inp	2769.50		NIST
Inp	2769.50		NIST
Tboil	640.55	K	Relay (1.0) Calculated Property
Tc	761.05	K	Relay (1.0) Calculated Property
Tfus	313.29	K	Relay (1.0) Calculated Property
Vc	1.674	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	[1515.63; 1646.70]	J/mol×K	[929.10; 1160.69]
Cp,gas	1515.63	J/mol×K	929.10	Joback Calculated Property
Cp,gas	1541.19	J/mol×K	967.70	Joback Calculated Property
Cp,gas	1565.06	J/mol×K	1006.30	Joback Calculated Property
Cp,gas	1587.39	J/mol×K	1044.89	Joback Calculated Property
Cp,gas	1608.34	J/mol×K	1083.49	Joback Calculated Property
Cp,gas	1628.06	J/mol×K	1122.09	Joback Calculated Property
Cp,gas	1646.70	J/mol×K	1160.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexacosyl pentafluoropropionate.

Sources

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

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