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

InChI

InChI=1S/C13H13F5O3/c1-3-4-20-5-6(2)21-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h6H,3-5H2,1-2H3

InChI Key

NYRVCYMCFJMQQB-UHFFFAOYSA-N

Formula

C13H13F5O3

SMILES

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

Molecular Weight¹

312.23

• 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°	-1192.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1495.32	kJ/mol	Joback Calculated Property
ΔfusH°	37.37	kJ/mol	Joback Calculated Property
ΔvapH°	57.21	kJ/mol	Joback Calculated Property
log10WS	-4.66		Crippen Calculated Property
logPoct/wat	3.354		Crippen Calculated Property
McVol	192.430	ml/mol	McGowan Calculated Property
Pc	1739.01	kPa	Joback Calculated Property
Inp	[1432.00; 1432.00]
Inp	1432.00		NIST
Inp	1432.00		NIST
Tboil	643.04	K	Joback Calculated Property
Tc	815.54	K	Joback Calculated Property
Tfus	407.63	K	Joback Calculated Property
Vc	0.781	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.84; 571.94]	J/mol×K	[643.04; 815.54]
Cp,gas	507.84	J/mol×K	643.04	Joback Calculated Property
Cp,gas	519.86	J/mol×K	671.79	Joback Calculated Property
Cp,gas	531.35	J/mol×K	700.54	Joback Calculated Property
Cp,gas	542.32	J/mol×K	729.29	Joback Calculated Property
Cp,gas	552.74	J/mol×K	758.04	Joback Calculated Property
Cp,gas	562.62	J/mol×K	786.79	Joback Calculated Property
Cp,gas	571.94	J/mol×K	815.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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