Chemical Properties of 1-tert-Butoxy-2-propanol, heptafluorobutyrate

InChI

InChI=1S/C11H15F7O3/c1-6(5-20-8(2,3)4)21-7(19)9(12,13)10(14,15)11(16,17)18/h6H,5H2,1-4H3

InChI Key

TTXDLKZACJODPX-UHFFFAOYSA-N

Formula

C11H15F7O3

SMILES

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

Molecular Weight¹

328.22

• 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°	-1651.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-2060.44	kJ/mol	Joback Calculated Property
ΔfusH°	16.60	kJ/mol	Joback Calculated Property
ΔvapH°	40.36	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.566		Crippen Calculated Property
McVol	191.550	ml/mol	McGowan Calculated Property
Pc	1631.17	kPa	Joback Calculated Property
Inp	[959.00; 959.00]
Inp	959.00		NIST
Inp	959.00		NIST
Tboil	531.32	K	Joback Calculated Property
Tc	689.39	K	Joback Calculated Property
Tfus	306.93	K	Joback Calculated Property
Vc	0.769	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.48; 584.76]	J/mol×K	[531.32; 689.39]
Cp,gas	511.48	J/mol×K	531.32	Joback Calculated Property
Cp,gas	525.63	J/mol×K	557.67	Joback Calculated Property
Cp,gas	538.95	J/mol×K	584.01	Joback Calculated Property
Cp,gas	551.49	J/mol×K	610.36	Joback Calculated Property
Cp,gas	563.28	J/mol×K	636.70	Joback Calculated Property
Cp,gas	574.36	J/mol×K	663.05	Joback Calculated Property
Cp,gas	584.76	J/mol×K	689.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-tert-Butoxy-2-propanol, heptafluorobutyrate.

Sources

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

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