Chemical Properties of 1-Butoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C14H15F5O3/c1-3-4-5-21-6-7(2)22-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h7H,3-6H2,1-2H3

InChI Key

HIPHBAOSIJPGCZ-UHFFFAOYSA-N

Formula

C14H15F5O3

SMILES

CCCCOCC(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

326.26

• 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°	-1184.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1515.96	kJ/mol	Joback Calculated Property
ΔfusH°	39.96	kJ/mol	Joback Calculated Property
ΔvapH°	59.44	kJ/mol	Joback Calculated Property
log10WS	-5.08		Crippen Calculated Property
logPoct/wat	3.744		Crippen Calculated Property
McVol	206.520	ml/mol	McGowan Calculated Property
Pc	1607.71	kPa	Joback Calculated Property
Inp	[1521.00; 1521.00]
Inp	1521.00		NIST
Inp	1521.00		NIST
Tboil	665.92	K	Joback Calculated Property
Tc	838.18	K	Joback Calculated Property
Tfus	418.90	K	Joback Calculated Property
Vc	0.838	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.19; 626.40]	J/mol×K	[665.92; 838.18]
Cp,gas	559.19	J/mol×K	665.92	Joback Calculated Property
Cp,gas	571.85	J/mol×K	694.63	Joback Calculated Property
Cp,gas	583.94	J/mol×K	723.34	Joback Calculated Property
Cp,gas	595.44	J/mol×K	752.05	Joback Calculated Property
Cp,gas	606.35	J/mol×K	780.76	Joback Calculated Property
Cp,gas	616.67	J/mol×K	809.47	Joback Calculated Property
Cp,gas	626.40	J/mol×K	838.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Butoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Sources

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

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