Chemical Properties of Benzaldehyde, 3-chloro- (CAS 587-04-2)

Benzaldehyde, 3-chloro-

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InChI
InChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChI Key
SRWILAKSARHZPR-UHFFFAOYSA-N
Formula
C7H5ClO
SMILES
O=Cc1cccc(Cl)c1
Molecular Weight1
140.57
CAS
587-04-2
Other Names
  • 3-Chlorobenzaldehyde
  • Benzaldehyde, m-chloro-
  • m-Chlorobenzaldehyde
  • meta-Chlorobenzaldehyde
Sources

Physical Properties

Property Value Unit Source
PAff 813.00 kJ/mol NIST
BasG 781.10 kJ/mol NIST
Δcliquid -3365.00 kJ/mol NIST
Δcliquid -3366.90 ± 8.40 kJ/mol NIST
EA 0.67 ± 0.09 eV NIST
EA 0.71 ± 0.09 eV NIST
Δf -0.61 kJ/mol Joback Calculated Property
Δfgas -64.07 kJ/mol Joback Calculated Property
Δfliquid -105.00 kJ/mol NIST
Δfus 14.02 kJ/mol Joback Calculated Property
Δvap 45.22 kJ/mol Joback Calculated Property
logPoct/wat 2.152 Crippen Calculated Property
Pc 4233.04 kPa Joback Calculated Property
Tboil 486.70 K NIST
Tc 704.10 K Joback Calculated Property
Tfus 279.51 K Joback Calculated Property
Vc 0.386 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 177.88 J/mol×K 477.31 Joback Calculated Property
η 0.0003305 Pa×s 477.31 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-Cl 1
O=CH- (aldehyde) 1
=CH- (ring) 4

Similar Compounds

3,5-Dichlorobenzaldehyde. Benzaldehyde, 3,4-dichloro-. 3-Chlorobenzamide. Benzoic acid, 3-chloro-. Benzene, 1-chloro-3-methyl-. Benzaldehyde, 4-chloro-. Acetophenone, 3'-chloro-. Benzoyl chloride, 3-chloro-. 2,3-Dichlorobenzaldehyde. Benzaldehyde, 2-chloro-. 3,5-Dichlorobenzoic acid. Benzaldehyde, 3-chloro-4-hydroxy-. 5-Chloro-2-hydroxy benzaldehyde. Benzene, 1,3-dichloro-5-methyl-. 3,5-Dichlorobenzoyl chloride.

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