Chemical Properties of Benzamide (CAS 55-21-0)

Benzamide

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InChI
InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChI Key
KXDAEFPNCMNJSK-UHFFFAOYSA-N
Formula
C7H7NO
SMILES
NC(=O)c1ccccc1
Molecular Weight1
121.14
CAS
55-21-0
Other Names
  • Benzoic acid amide
  • Benzoylamide
  • Phenylcarboxyamide
Sources

Physical Properties

Property Value Unit Source
PAff 892.10 kJ/mol NIST
BasG 861.20 kJ/mol NIST
Δcsolid [-3552.80; -3546.50] kJ/mol Show Hide
Δcsolid -3552.80 ± 0.50 kJ/mol NIST
Δcsolid -3550.10 ± 0.80 kJ/mol NIST
Δcsolid -3546.50 ± 1.90 kJ/mol NIST
Δcsolid -3552.20 kJ/mol NIST
Δcsolid -3551.00 ± 3.00 kJ/mol NIST
Δf 58.00 kJ/mol Joback Calculated Property
Δfgas -30.07 kJ/mol Joback Calculated Property
Δfsolid [-208.50; -202.14] kJ/mol Show Hide
Δfsolid -202.14 ± 0.60 kJ/mol NIST
Δfsolid -204.80 ± 0.80 kJ/mol NIST
Δfsolid -208.50 ± 1.90 kJ/mol NIST
Δfsolid -202.80 kJ/mol NIST
Δfus 14.72 kJ/mol Joback Calculated Property
Δsub 102.00 ± 1.00 kJ/mol NIST
Δvap 50.84 kJ/mol Joback Calculated Property
IE [9.25; 9.60] eV Show Hide
IE 9.25 eV NIST
IE 9.60 eV NIST
IE 9.40 ± 0.20 eV NIST
IE 9.45 eV NIST
logPoct/wat 0.79 Crippen Calculated Property
Pc 4829.24 kPa Joback Calculated Property
Tboil 561.00 K NIST
Tc 749.85 K Joback Calculated Property
Tfus [400.00; 403.00] K Show Hide
Tfus 402.30 ± 0.20 K NIST
Tfus 403.00 K NIST
Tfus 400.00 ± 1.50 K NIST
Tfus 400.40 ± 0.20 K NIST
Tfus 400.00 ± 2.00 K NIST
Tfus 403.00 ± 2.00 K NIST
Vc 0.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 201.16 J/mol×K 512.64 Joback Calculated Property
Cp,solid 153.80 J/mol×K 298.15 NIST
ΔfusH 19.15 kJ/mol 402.1 NIST
ΔfusH 18.49 kJ/mol 402.3 NIST
ΔfusH 23.76 kJ/mol 403.0 NIST
ΔsubH 96.90 kJ/mol 333.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
>C=O (nonring) 1
=CH- (ring) 5
-NH2 1

Similar Compounds

Benzamide, 4-methyl-. Terephthalamide. Benzamide, N-methyl-. Benzamide, n-hydroxy-. Benzoic acid, hydrazide. Benzamide, 4-amino-. Benzamide, 4-chloro-. 4-Hydroxybenzamide. m-Toluamide. p-Fluorobenzamide. Benzamide, N,N-dimethyl-. Methanone, 1-phenyl-1-isocyanato-. Benzamide, N-ethyl-. N-methyl-p-toluamide. Benzoyl isothiocyanate.

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