Chemical Properties of 1-(tert-Butoxy)propan-2-yl 2,2,3,3,3-pentafluoropropanoate

InChI

InChI=1S/C10H15F5O3/c1-6(5-17-8(2,3)4)18-7(16)9(11,12)10(13,14)15/h6H,5H2,1-4H3

InChI Key

VZXDHJSIRZCDHL-UHFFFAOYSA-N

Formula

C10H15F5O3

SMILES

CC(COC(C)(C)C)OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

278.22

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5048		Relay (... Calculated Property
ΔfG°	-1273.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1754.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.27	kJ/mol	Joback Calculated Property
ΔvapH°	54.82	kJ/mol	Relay (... Calculated Property
IE	10.61	eV	Relay (... Calculated Property
log10WS	-2.82		Relay (... Calculated Property
logPoct/wat	2.931		Crippen Calculated Property
McVol	173.920	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[945.00; 945.00]
Inp	945.00		NIST
Inp	945.00		NIST
Tboil	415.79	K	Relay (... Calculated Property
Tc	537.03	K	Relay (... Calculated Property
Tfus	240.81	K	Relay (... Calculated Property
Vc	0.666	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.37; 517.08]	J/mol×K	[513.13; 677.43]
Cp,gas	444.37	J/mol×K	513.13	Joback Calculated Property
Cp,gas	458.28	J/mol×K	540.51	Joback Calculated Property
Cp,gas	471.43	J/mol×K	567.90	Joback Calculated Property
Cp,gas	483.86	J/mol×K	595.28	Joback Calculated Property
Cp,gas	495.59	J/mol×K	622.66	Joback Calculated Property
Cp,gas	506.66	J/mol×K	650.05	Joback Calculated Property
Cp,gas	517.08	J/mol×K	677.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(tert-Butoxy)propan-2-yl 2,2,3,3,3-pentafluoropropanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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