Chemical Properties of Pentafluoropropionic acid, pentadecyl ester (CAS 959092-08-1)

InChI

InChI=1S/C18H31F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-16(24)17(19,20)18(21,22)23/h2-15H2,1H3

InChI Key

SOIQTDZYLNEIHG-UHFFFAOYSA-N

Formula

C18H31F5O2

SMILES

CCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

374.43

CAS

959092-08-1

Other Names

• Pentadecyl pentafluoropropionate

• 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	0.8885		Relay (1.0) Calculated Property
ΔfH°gas	-1734.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.32	kJ/mol	Joback Calculated Property
ΔvapH°	89.42	kJ/mol	Relay (1.0) Calculated Property
IE	10.54	eV	Relay (1.0) Calculated Property
log10WS	-7.25		Relay (1.0) Calculated Property
logPoct/wat	6.818		Crippen Calculated Property
McVol	280.770	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Inp	[1723.00; 1733.20]
Inp	1723.00		NIST
Inp	1723.00		NIST
Inp	1733.20		NIST
Inp	1733.20		NIST
Tboil	536.45	K	Relay (1.0) Calculated Property
Tc	659.90	K	Relay (1.0) Calculated Property
Tfus	275.52	K	Relay (1.0) Calculated Property
Vc	1.078	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	[824.07; 916.21]	J/mol×K	[659.55; 814.99]
Cp,gas	824.07	J/mol×K	659.55	Joback Calculated Property
Cp,gas	841.44	J/mol×K	685.46	Joback Calculated Property
Cp,gas	857.96	J/mol×K	711.36	Joback Calculated Property
Cp,gas	873.66	J/mol×K	737.27	Joback Calculated Property
Cp,gas	888.58	J/mol×K	763.18	Joback Calculated Property
Cp,gas	902.75	J/mol×K	789.08	Joback Calculated Property
Cp,gas	916.21	J/mol×K	814.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentafluoropropionic acid, pentadecyl ester.

Sources

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

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