Chemical Properties of Octacosyl trifluoroacetate

InChI

InChI=1S/C30H57F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35-29(34)30(31,32)33/h2-28H2,1H3

InChI Key

DBJWKKYWNRSCGQ-UHFFFAOYSA-N

Formula

C30H57F3O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F

Molecular Weight¹

506.77

Other Names

• Octacosyl 2,2,2-trifluoroacetate
• 1-Octacosanol, 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	1.3006		Relay (1.0) Calculated Property
ΔfH°gas	-1541.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.07	kJ/mol	Joback Calculated Property
ΔvapH°	141.46	kJ/mol	Relay (1.0) Calculated Property
IE	10.79	eV	Relay (1.0) Calculated Property
log10WS	-10.18		Relay (1.0) Calculated Property
logPoct/wat	11.254		Crippen Calculated Property
McVol	446.310	ml/mol	McGowan Calculated Property
Pc	575.63	kPa	Joback Calculated Property
Inp	[2974.70; 2974.70]
Inp	2974.70		NIST
Inp	2974.70		NIST
Tboil	657.42	K	Relay (1.0) Calculated Property
Tc	793.74	K	Relay (1.0) Calculated Property
Tfus	322.95	K	Relay (1.0) Calculated Property
Vc	1.734	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	[1568.53; 1703.48]	J/mol×K	[956.67; 1198.66]
Cp,gas	1568.53	J/mol×K	956.67	Joback Calculated Property
Cp,gas	1595.34	J/mol×K	997.00	Joback Calculated Property
Cp,gas	1620.23	J/mol×K	1037.33	Joback Calculated Property
Cp,gas	1643.34	J/mol×K	1077.66	Joback Calculated Property
Cp,gas	1664.82	J/mol×K	1117.99	Joback Calculated Property
Cp,gas	1684.82	J/mol×K	1158.32	Joback Calculated Property
Cp,gas	1703.48	J/mol×K	1198.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octacosyl trifluoroacetate.

Sources

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

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