Chemical Properties of 1-Butoxypropan-2-yl 2,2,3,3,3-pentafluoropropanoate

InChI

InChI=1S/C10H15F5O3/c1-3-4-5-17-6-7(2)18-8(16)9(11,12)10(13,14)15/h7H,3-6H2,1-2H3

InChI Key

JESFKTHDIYRXMD-UHFFFAOYSA-N

Formula

C10H15F5O3

SMILES

CCCCOCC(C)OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

278.22

• 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°	-1276.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1630.08	kJ/mol	Joback Calculated Property
ΔfusH°	22.68	kJ/mol	Joback Calculated Property
ΔvapH°	42.36	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	2.932		Crippen Calculated Property
McVol	173.920	ml/mol	McGowan Calculated Property
Pc	1845.16	kPa	Joback Calculated Property
Inp	[994.00; 994.00]
Inp	994.00		NIST
Inp	994.00		NIST
Tboil	516.36	K	Joback Calculated Property
Tc	672.68	K	Joback Calculated Property
Tfus	289.64	K	Joback Calculated Property
Vc	0.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[441.45; 510.99]	J/mol×K	[516.36; 672.68]
Cp,gas	441.45	J/mol×K	516.36	Joback Calculated Property
Cp,gas	454.50	J/mol×K	542.41	Joback Calculated Property
Cp,gas	466.95	J/mol×K	568.47	Joback Calculated Property
Cp,gas	478.80	J/mol×K	594.52	Joback Calculated Property
Cp,gas	490.08	J/mol×K	620.58	Joback Calculated Property
Cp,gas	500.81	J/mol×K	646.63	Joback Calculated Property
Cp,gas	510.99	J/mol×K	672.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Butoxypropan-2-yl 2,2,3,3,3-pentafluoropropanoate.

Sources

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

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