Chemical Properties of Heptacosyl trifluoroacetate

InChI

InChI=1S/C29H55F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34-28(33)29(30,31)32/h2-27H2,1H3

InChI Key

VVPLBTYMPDZWEY-UHFFFAOYSA-N

Formula

C29H55F3O2

SMILES

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

Molecular Weight¹

492.75

Other Names

• Heptacosyl 2,2,2-trifluoroacetate
• 1-Heptacosanol, trifluoroacetate

• 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	1.2655		Relay (1.0) Calculated Property
ΔfH°gas	-1521.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.48	kJ/mol	Joback Calculated Property
ΔvapH°	137.17	kJ/mol	Relay (1.0) Calculated Property
IE	10.76	eV	Relay (1.0) Calculated Property
log10WS	-9.90		Relay (1.0) Calculated Property
logPoct/wat	10.864		Crippen Calculated Property
McVol	432.220	ml/mol	McGowan Calculated Property
Pc	603.09	kPa	Joback Calculated Property
Inp	[2878.20; 2878.20]
Inp	2878.20		NIST
Inp	2878.20		NIST
Tboil	650.33	K	Relay (1.0) Calculated Property
Tc	786.20	K	Relay (1.0) Calculated Property
Tfus	321.21	K	Relay (1.0) Calculated Property
Vc	1.679	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	[1502.36; 1632.33]	J/mol×K	[933.79; 1162.98]
Cp,gas	1502.36	J/mol×K	933.79	Joback Calculated Property
Cp,gas	1527.99	J/mol×K	971.99	Joback Calculated Property
Cp,gas	1551.87	J/mol×K	1010.19	Joback Calculated Property
Cp,gas	1574.13	J/mol×K	1048.38	Joback Calculated Property
Cp,gas	1594.87	J/mol×K	1086.58	Joback Calculated Property
Cp,gas	1614.23	J/mol×K	1124.78	Joback Calculated Property
Cp,gas	1632.33	J/mol×K	1162.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptacosyl trifluoroacetate.

Sources

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

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