Chemical Properties of Heptacosyl pentafluoropropionate

InChI

InChI=1S/C30H55F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37-28(36)29(31,32)30(33,34)35/h2-27H2,1H3

InChI Key

COLXSPGAJFFLTE-UHFFFAOYSA-N

Formula

C30H55F5O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

542.75

Other Names

• Heptacosyl 2,2,3,3,3-pentafluoropropanoate
• 1-Heptacosanol, 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	1.3109		Relay (1.0) Calculated Property
ΔfH°gas	-1967.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.81	kJ/mol	Joback Calculated Property
ΔvapH°	138.42	kJ/mol	Relay (1.0) Calculated Property
IE	10.82	eV	Relay (1.0) Calculated Property
log10WS	-10.67		Relay (1.0) Calculated Property
logPoct/wat	11.500		Crippen Calculated Property
McVol	449.850	ml/mol	McGowan Calculated Property
Pc	556.51	kPa	Joback Calculated Property
Inp	[2868.40; 2868.40]
Inp	2868.40		NIST
Inp	2868.40		NIST
Tboil	648.33	K	Relay (1.0) Calculated Property
Tc	768.94	K	Relay (1.0) Calculated Property
Tfus	315.10	K	Relay (1.0) Calculated Property
Vc	1.730	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	[1581.49; 1718.66]	J/mol×K	[951.98; 1197.03]
Cp,gas	1581.49	J/mol×K	951.98	Joback Calculated Property
Cp,gas	1608.34	J/mol×K	992.82	Joback Calculated Property
Cp,gas	1633.35	J/mol×K	1033.66	Joback Calculated Property
Cp,gas	1656.70	J/mol×K	1074.50	Joback Calculated Property
Cp,gas	1678.58	J/mol×K	1115.35	Joback Calculated Property
Cp,gas	1699.17	J/mol×K	1156.19	Joback Calculated Property
Cp,gas	1718.66	J/mol×K	1197.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptacosyl pentafluoropropionate.

Sources

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

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