Chemical Properties of Dodecanoic acid, pentafluorophenyl ester

InChI

InChI=1S/C18H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3

InChI Key

QQSJYXOHBRYWNP-UHFFFAOYSA-N

Formula

C18H23F5O2

SMILES

CCCCCCCCCCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

366.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	-1043.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1461.02	kJ/mol	Joback Calculated Property
ΔfusH°	52.66	kJ/mol	Joback Calculated Property
ΔvapH°	66.32	kJ/mol	Joback Calculated Property
log10WS	-7.63		Crippen Calculated Property
logPoct/wat	6.208		Crippen Calculated Property
McVol	257.010	ml/mol	McGowan Calculated Property
Pc	1214.90	kPa	Joback Calculated Property
Inp	[1909.00; 1909.00]
Inp	1909.00		NIST
Inp	1909.00		NIST
Tboil	735.46	K	Joback Calculated Property
Tc	908.12	K	Joback Calculated Property
Tfus	456.75	K	Joback Calculated Property
Vc	1.050	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.94; 825.91]	J/mol×K	[735.46; 908.12]
Cp,gas	747.94	J/mol×K	735.46	Joback Calculated Property
Cp,gas	762.76	J/mol×K	764.24	Joback Calculated Property
Cp,gas	776.83	J/mol×K	793.01	Joback Calculated Property
Cp,gas	790.17	J/mol×K	821.79	Joback Calculated Property
Cp,gas	802.80	J/mol×K	850.57	Joback Calculated Property
Cp,gas	814.71	J/mol×K	879.35	Joback Calculated Property
Cp,gas	825.91	J/mol×K	908.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, pentafluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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