Chemical Properties of Undecyl heptafluorobutyrate

InChI

InChI=1S/C15H23F7O2/c1-2-3-4-5-6-7-8-9-10-11-24-12(23)13(16,17)14(18,19)15(20,21)22/h2-11H2,1H3

InChI Key

BAMRUWAHGSFKKX-UHFFFAOYSA-N

Formula

C15H23F7O2

SMILES

CCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

368.33

Other Names

• Undecyl heptafluorobutyrate

• 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	-2069.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.71	kJ/mol	Joback Calculated Property
ΔvapH°	74.75	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	5.893		Crippen Calculated Property
McVol	242.040	ml/mol	McGowan Calculated Property
Pc	1214.05	kPa	Joback Calculated Property
Inp	[1386.00; 1392.80]
Inp	1386.00		NIST
Inp	1392.80		NIST
Tboil	496.01	K	Relay (1.0) Calculated Property
Tc	609.72	K	Relay (1.0) Calculated Property
Tfus	240.37	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.52; 765.63]	J/mol×K	[604.09; 754.43]
Cp,gas	684.52	J/mol×K	604.09	Joback Calculated Property
Cp,gas	699.86	J/mol×K	629.15	Joback Calculated Property
Cp,gas	714.42	J/mol×K	654.20	Joback Calculated Property
Cp,gas	728.25	J/mol×K	679.26	Joback Calculated Property
Cp,gas	741.37	J/mol×K	704.31	Joback Calculated Property
Cp,gas	753.82	J/mol×K	729.37	Joback Calculated Property
Cp,gas	765.63	J/mol×K	754.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Undecyl heptafluorobutyrate.

Sources

• Cheméo Relay (1.0)
• 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.