Chemical Properties of Tert-butyl n-(1-hydroxy-2,2,2-trifluoroethyl)carbamate (CAS 17049-74-0)

Tert-butyl n-(1-hydroxy-2,2,2-trifluoroethyl)carbamate

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InChI
InChI=1S/C7H12F3NO3/c1-6(2,3)14-5(13)11-4(12)7(8,9)10/h4,12H,1-3H3,(H,11,13)
InChI Key
HVTJYNRKBXOBCX-UHFFFAOYSA-N
Formula
C7H12F3NO3
SMILES
CC(C)(C)OC(=O)NC(O)C(F)(F)F
Molecular Weight1
215.17
CAS
17049-74-0
Sources

Physical Properties

Property Value Unit Source
Δf -854.48 kJ/mol Joback Calculated Property
Δfgas -1142.48 kJ/mol Joback Calculated Property
Δfus 16.75 kJ/mol Joback Calculated Property
Δvap 58.02 kJ/mol Joback Calculated Property
logPoct/wat 1.39 Crippen Calculated Property
Pc 2992.59 kPa Joback Calculated Property
Tboil 569.11 K Joback Calculated Property
Tc 740.09 K Joback Calculated Property
Tfus 345.90 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 366.58 J/mol×K 569.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 3
-OH (alcohol) 1
-F 3
>C< 2
>NH 1
>C=O (nonring) 1

Similar Compounds

N-(tert-butoxycarbonyl)glycine, methyl ester. Carbamic acid, n-methyl, t-butyl ester. T-butyl 1-piperaziencarboxylate. Carbamic acid, vinyl-, tert-butyl ester. T-boc-sarcosine. Carbamic acid, ethyl-, ethyl ester. N-tert-butoxycarbonyl-4-piperidone. 5,5-Dimethyloxazolidine-2,4-dione. Isobutylcarbamate, N-ethyl-N-methyl. Isobutylcarbamate, N,N-diethyl. Carbamic acid, butyl-, ethyl ester. Propamocarb. 2-Oxazolidinone,4,4-dimethyl-. 3-tert-Butyl-2-oxo-1,3-oxazolidine. 1,6-Diaminohexane, bis-iso-BOC.

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