Chemical Properties of Octacosyl heptafluorobutyrate

InChI

InChI=1S/C32H57F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-41-29(40)30(33,34)31(35,36)32(37,38)39/h2-28H2,1H3

InChI Key

LUZCOQCDQZIGAN-UHFFFAOYSA-N

Formula

C32H57F7O2

SMILES

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

Molecular Weight¹

606.79

Other Names

• Octacosyl 2,2,3,3,4,4,4-heptafluorobutanoate
• 1-Octacosanol, heptafluorobutyrate
• Octacosyl perfluorobutyrate

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2397.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	82.32	kJ/mol	Joback Calculated Property
ΔvapH°	145.69	kJ/mol	Relay (1.0) Calculated Property
log10WS	-11.40		Relay (1.0) Calculated Property
logPoct/wat	12.525		Crippen Calculated Property
McVol	481.570	ml/mol	McGowan Calculated Property
Pc	484.52	kPa	Joback Calculated Property
Inp	[2983.40; 2983.40]
Inp	2983.40		NIST
Inp	2983.40		NIST
Tboil	665.68	K	Relay (1.0) Calculated Property
Tc	776.52	K	Relay (1.0) Calculated Property
Tfus	301.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.67; 1732.25]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.15730e+01
Coefficient B			3.44902e+00
Coefficient C			-2.25260e-03
Coefficient D			5.67400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	753.67	J/mol×K	273.00	Calculated Property
Cp,gas	931.80	J/mol×K	353.78	Calculated Property
Cp,gas	1088.40	J/mol×K	434.56	Calculated Property
Cp,gas	1225.25	J/mol×K	515.33	Calculated Property
Cp,gas	1344.16	J/mol×K	596.11	Calculated Property
Cp,gas	1446.91	J/mol×K	676.89	Calculated Property
Cp,gas	1535.30	J/mol×K	757.67	Calculated Property
Cp,gas	1611.12	J/mol×K	838.44	Calculated Property
Cp,gas	1676.17	J/mol×K	919.22	Calculated Property
Cp,gas	1732.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Octacosyl heptafluorobutyrate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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