Chemical Properties of Butanoic acid, heptafluoro-, ethyl ester (CAS 356-27-4)

InChI

InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3

InChI Key

JVHJRIQPDBCRRE-UHFFFAOYSA-N

Formula

C6H5F7O2

SMILES

CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

242.09

CAS

356-27-4

Other Names

• Butyric acid, heptafluoro-, ethyl ester
• Ethyl heptafluorobutyrate
• Ethyl perfluorobutyrate
• Heptafluoro-n-butyric acid ethyl ester
• Heptafluorobutyric acid ethyl ester
• 2,2,3,3,4,4,4-Heptafluoro-butyric acid ethyl ester
• Ethyl heptafluorobutanoate

• 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).
• 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	-1901.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.98	kJ/mol	Joback Calculated Property
ΔvapH°	43.50	kJ/mol	Relay (1.0) Calculated Property
IE	11.20	eV	Relay (1.0) Calculated Property
logPoct/wat	2.382		Crippen Calculated Property
McVol	115.230	ml/mol	McGowan Calculated Property
Pc	2386.52	kPa	Joback Calculated Property
Inp	[559.00; 559.20]
Inp	559.00		NIST
Inp	559.20		NIST
Inp	559.00		NIST
Tboil	369.50 ± 1.50	K	NIST
Tc	482.61	K	Relay (1.0) Calculated Property
Tfus	194.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[257.35; 312.29]	J/mol×K	[380.30; 524.82]
Cp,gas	257.35	J/mol×K	380.30	Joback Calculated Property
Cp,gas	267.96	J/mol×K	404.39	Joback Calculated Property
Cp,gas	277.96	J/mol×K	428.47	Joback Calculated Property
Cp,gas	287.37	J/mol×K	452.56	Joback Calculated Property
Cp,gas	296.21	J/mol×K	476.64	Joback Calculated Property
Cp,gas	304.52	J/mol×K	500.73	Joback Calculated Property
Cp,gas	312.29	J/mol×K	524.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, heptafluoro-, ethyl ester.

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.
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