Chemical Properties of Benzoxazole (CAS 273-53-0)

Benzoxazole

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InChI
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChI Key
BCMCBBGGLRIHSE-UHFFFAOYSA-N
Formula
C7H5NO
SMILES
c1ccc2ocnc2c1
Molecular Weight1
119.12
CAS
273-53-0
Other Names
  • 1-Oxa-3-aza-1H-indene
  • 1-Oxa-3-azaindene
  • USAF ek-5017
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Physical Properties

Property Value Unit Source
PAff 891.60 kJ/mol NIST
BasG 859.80 kJ/mol NIST
Δcsolid -3445.00 ± 1.00 kJ/mol NIST
Δfgas 45.14 ± 0.52 kJ/mol NIST
Δfsolid -24.20 ± 1.10 kJ/mol NIST
Δsub 69.50 ± 0.40 kJ/mol NIST
log10WS [-1.16; -1.16]   Show Hide
log10WS -1.16 Aq. Sol...
log10WS -1.16 Estimat...
logPoct/wat 1.828 Crippen Calculated Property
McVol 86.420 ml/mol McGowan Calculated Property
Inp [1067.00; 1067.00]   Show Hide
Inp 1067.00 NIST
Inp 1067.00 NIST
I [1733.00; 1733.00]   Show Hide
I 1733.00 NIST
I 1733.00 NIST
solid,1 bar 148.95 J/mol×K NIST
Tboil [455.70; 456.00] K Show Hide
Tboil 455.70 K NIST
Tboil 456.00 K NIST
Tboil 456.00 K NIST
Tfus [303.65; 304.00] K Show Hide
Tfus 303.65 K Aq. Sol...
Tfus 304.00 K NIST
Ttriple 302.50 ± 0.00 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 141.59 J/mol×K 298.15 NIST
ΔfusH 16.78 kJ/mol 302.50 NIST
ΔvapH [40.70; 69.20] kJ/mol [298.15; 480.00] Show Hide
ΔvapH 69.20 kJ/mol 298.15 Experim...
ΔvapH 51.20 kJ/mol 320.00 NIST
ΔvapH 48.60 kJ/mol 360.00 NIST
ΔvapH 46.10 kJ/mol 400.00 NIST
ΔvapH 43.50 kJ/mol 440.00 NIST
ΔvapH 40.70 kJ/mol 480.00 NIST

Similar Compounds

Benzoxazole, 2-chloro-. Benzoxazole, 2-methyl-. 2-Mercapto-1,3-benzoxazole. 2(3H)-Benzoxazolone. Benzoxazole, 2-phenyl-. 2-Methylnaphth[2,3-d]oxazole. 2(3H)-Benzoxazolethione,3-methyl-. Zoxazolamine. 2,6-Dimethylbenzo-[1,2-d, 3,4-d]bisoxazole. Chlorzoxazone. 2(3H)-Benzoxazolone, 6-chloro-. 2,5-Dimethylbenzoxazole. 2-methylnaphth[2,1-d]oxazole. 2-Benzoxazolethiol, 5-phenyl-. 2,7-Dimethylbenzo-[1,2-d,5,4-d]bisoxazole.

Find more compounds similar to Benzoxazole.

Sources

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