Chemical Properties of Tridecyl pentafluoropropionate

InChI

InChI=1S/C16H27F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-14(22)15(17,18)16(19,20)21/h2-13H2,1H3

InChI Key

WGTROCTZHUYVJI-UHFFFAOYSA-N

Formula

C16H27F5O2

SMILES

CCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

346.38

Other Names

• Tridecyl 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	0.8165		Relay (1.0) Calculated Property
ΔfH°gas	-1695.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.14	kJ/mol	Joback Calculated Property
ΔvapH°	81.26	kJ/mol	Relay (1.0) Calculated Property
IE	10.54	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	6.038		Crippen Calculated Property
McVol	252.590	ml/mol	McGowan Calculated Property
Pc	1160.08	kPa	Joback Calculated Property
Inp	[1533.00; 1534.50]
Inp	1533.00		NIST
Inp	1533.00		NIST
Inp	1534.50		NIST
Inp	1534.50		NIST
Tboil	512.35	K	Relay (1.0) Calculated Property
Tc	635.60	K	Relay (1.0) Calculated Property
Tfus	264.63	K	Relay (1.0) Calculated Property
Vc	0.969	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	[711.89; 799.59]	J/mol×K	[613.79; 766.01]
Cp,gas	711.89	J/mol×K	613.79	Joback Calculated Property
Cp,gas	728.39	J/mol×K	639.16	Joback Calculated Property
Cp,gas	744.09	J/mol×K	664.53	Joback Calculated Property
Cp,gas	759.04	J/mol×K	689.90	Joback Calculated Property
Cp,gas	773.25	J/mol×K	715.27	Joback Calculated Property
Cp,gas	786.76	J/mol×K	740.64	Joback Calculated Property
Cp,gas	799.59	J/mol×K	766.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tridecyl pentafluoropropionate.

Sources

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

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