Chemical Properties of 2,4,5-TB PFB ester

InChI

InChI=1S/C17H10Cl3F5O3/c18-8-4-10(20)11(5-9(8)19)27-3-1-2-12(26)28-6-7-13(21)15(23)17(25)16(24)14(7)22/h4-5H,1-3,6H2

InChI Key

ABFWDLIGMFYBPC-UHFFFAOYSA-N

Formula

C17H10Cl3F5O3

SMILES

O=C(CCCOc1cc(Cl)c(Cl)cc1Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

463.61

• 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°	-1108.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1417.70	kJ/mol	Joback Calculated Property
ΔfusH°	56.72	kJ/mol	Joback Calculated Property
ΔvapH°	83.92	kJ/mol	Joback Calculated Property
log10WS	-7.95		Crippen Calculated Property
logPoct/wat	6.245		Crippen Calculated Property
McVol	261.750	ml/mol	McGowan Calculated Property
Pc	1462.37	kPa	Joback Calculated Property
Inp	[2471.00; 2481.00]
Inp	2480.00		NIST
Inp	2481.00		NIST
Inp	2471.00		NIST
Tboil	888.91	K	Joback Calculated Property
Tc	1098.91	K	Joback Calculated Property
Tfus	621.45	K	Joback Calculated Property
Vc	1.050	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.42; 735.99]	J/mol×K	[888.91; 1098.91]
Cp,gas	695.42	J/mol×K	888.91	Joback Calculated Property
Cp,gas	704.57	J/mol×K	923.91	Joback Calculated Property
Cp,gas	712.77	J/mol×K	958.91	Joback Calculated Property
Cp,gas	720.02	J/mol×K	993.91	Joback Calculated Property
Cp,gas	726.31	J/mol×K	1028.91	Joback Calculated Property
Cp,gas	731.63	J/mol×K	1063.91	Joback Calculated Property
Cp,gas	735.99	J/mol×K	1098.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-TB PFB ester.

Sources

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

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