Chemical Properties of Octadecyl pentafluoropropionate

InChI

InChI=1S/C21H37F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19(27)20(22,23)21(24,25)26/h2-18H2,1H3

InChI Key

KNCMVQBRQJKYNM-UHFFFAOYSA-N

Formula

C21H37F5O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

416.51

Other Names

• Octadecyl 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.
• 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	0.9957		Relay (1.0) Calculated Property
ΔfH°gas	-1793.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.51	kJ/mol	Joback Calculated Property
ΔvapH°	100.54	kJ/mol	Relay (1.0) Calculated Property
IE	10.58	eV	Relay (1.0) Calculated Property
log10WS	-8.12		Relay (1.0) Calculated Property
logPoct/wat	7.989		Crippen Calculated Property
McVol	323.040	ml/mol	McGowan Calculated Property
Pc	877.91	kPa	Joback Calculated Property
Inp	[2008.00; 2054.00]
Inp	2008.00		NIST
Inp	2054.00		NIST
Inp	2011.00		NIST
Inp	2008.00		NIST
Inp	2011.00		NIST
I	2097.00		NIST
Tboil	570.18	K	Relay (1.0) Calculated Property
Tc	688.12	K	Relay (1.0) Calculated Property
Tfus	291.27	K	Relay (1.0) Calculated Property
Vc	1.236	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	[1009.73; 1108.65]	J/mol×K	[746.06; 914.00]
Cp,gas	1009.73	J/mol×K	746.06	Joback Calculated Property
Cp,gas	1028.45	J/mol×K	774.05	Joback Calculated Property
Cp,gas	1046.22	J/mol×K	802.04	Joback Calculated Property
Cp,gas	1063.07	J/mol×K	830.03	Joback Calculated Property
Cp,gas	1079.07	J/mol×K	858.02	Joback Calculated Property
Cp,gas	1094.24	J/mol×K	886.01	Joback Calculated Property
Cp,gas	1108.65	J/mol×K	914.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecyl pentafluoropropionate.

Sources

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

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