Chemical Properties of Pentafluoropropionic acid, tetradecyl ester

InChI

InChI=1S/C17H29F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15(23)16(18,19)17(20,21)22/h2-14H2,1H3

InChI Key

JOQINMMRCSNJTD-UHFFFAOYSA-N

Formula

C17H29F5O2

SMILES

CCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

360.41

• 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.
• I : 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	0.8526		Relay (1.0) Calculated Property
ΔfH°gas	-1714.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.73	kJ/mol	Joback Calculated Property
ΔvapH°	85.35	kJ/mol	Relay (1.0) Calculated Property
IE	10.54	eV	Relay (1.0) Calculated Property
log10WS	-6.96		Relay (1.0) Calculated Property
logPoct/wat	6.428		Crippen Calculated Property
McVol	266.680	ml/mol	McGowan Calculated Property
Pc	1087.78	kPa	Joback Calculated Property
Inp	[1627.00; 1668.00]
Inp	1668.00		NIST
Inp	1627.00		NIST
Inp	1639.10		NIST
I	[1701.00; 1701.00]
I	1701.00		NIST
I	1701.00		NIST
Tboil	524.71	K	Relay (1.0) Calculated Property
Tc	647.96	K	Relay (1.0) Calculated Property
Tfus	270.36	K	Relay (1.0) Calculated Property
Vc	1.023	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	[767.40; 857.32]	J/mol×K	[636.67; 790.27]
Cp,gas	767.40	J/mol×K	636.67	Joback Calculated Property
Cp,gas	784.33	J/mol×K	662.27	Joback Calculated Property
Cp,gas	800.44	J/mol×K	687.87	Joback Calculated Property
Cp,gas	815.76	J/mol×K	713.47	Joback Calculated Property
Cp,gas	830.33	J/mol×K	739.07	Joback Calculated Property
Cp,gas	844.17	J/mol×K	764.67	Joback Calculated Property
Cp,gas	857.32	J/mol×K	790.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentafluoropropionic acid, tetradecyl ester.

Sources

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

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