Chemical Properties of Benzoic acid, 3-methoxy- (CAS 586-38-9)

Benzoic acid, 3-methoxy-

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InChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
XHQZJYCNDZAGLW-UHFFFAOYSA-N
Formula
C8H8O3
SMILES
COc1cccc(C(=O)O)c1
Molecular Weight1
152.15
CAS
586-38-9
Other Names
  • 3-Methoxybenzoic acid
  • m-Anisic acid
  • m-Methoxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3737.91 ± 0.60 kJ/mol NIST
Δf -251.48 kJ/mol Joback Calculated Property
Δfgas -446.10 ± 0.80 kJ/mol NIST
Δfsolid -553.50 ± 1.20 kJ/mol NIST
Δfus 17.00 kJ/mol Joback Calculated Property
Δsub 114.70 ± 0.80 kJ/mol NIST
Δsub 107.50 ± 0.40 kJ/mol NIST
Δsub 107.40 kJ/mol NIST
Δvap 95.00 kJ/mol NIST
IE 9.10 ± 0.20 eV NIST
logPoct/wat 1.393 Crippen Calculated Property
Pc 4260.71 kPa Joback Calculated Property
Tboil 444.20 K NIST
Tc 787.82 K Joback Calculated Property
Tfus 351.84 K Joback Calculated Property
Vc 0.418 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 257.47 J/mol×K 582.57 Joback Calculated Property
η 0.0000919 Pa×s 582.57 Joback Calculated Property
ΔfusH 24.90 kJ/mol 378.7 NIST
ΔsubH 107.40 ± 0.40 kJ/mol 318.12 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH3 1

Similar Compounds

3,5-Dimethoxybenzoic acid. 3-CH3O-C6H4-COOCH3. M-trifluoromethoxybenzoic acid. Benzoic acid, 3-hydroxy-. Benzoic acid, 3-ethoxy-, methyl ester. Benzoic acid, p-acetoxy. Benzoic acid, m-acetoxy. Benzoic acid, 3-methoxy-4-methyl-. Benzoic acid, 3,5-dimethoxy-, methyl ester. Benzoic acid, 4-hydroxy-3-methoxy-. Ethyl-3-methoxybenzoate. 3,5-dihydroxybenzoic acid. Benzoic acid, 3-propyloxy-, methyl ester. Benzoic acid, 3-(isopropyl)oxy-, methyl ester. Benzoic acid, 3,4-dimethoxy-.

Find more compounds similar to Benzoic acid, 3-methoxy-.

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