Chemical Properties of Benzoic acid, 2-methoxy- (CAS 579-75-9)

Benzoic acid, 2-methoxy-

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InChI
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
ILUJQPXNXACGAN-UHFFFAOYSA-N
Formula
C8H8O3
SMILES
COc1ccccc1C(=O)O
Molecular Weight1
152.15
CAS
579-75-9
Other Names
  • 2-Anisic acid
  • 2-Methoxybenzoic acid
  • Kyselina 2-methoxybenzoova
  • NSC 3778
  • O-Methylsalicylic acid
  • Salicylic acid methyl ether
  • o-Anisic acid
  • o-Methoxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3752.88 ± 0.64 kJ/mol NIST
Δf -251.48 kJ/mol Joback Calculated Property
Δfgas -433.80 ± 1.20 kJ/mol NIST
Δfsolid -538.50 ± 1.20 kJ/mol NIST
Δfus 17.00 kJ/mol Joback Calculated Property
Δsub [90.90; 110.70] kJ/mol Show Hide
Δsub 110.70 ± 0.80 kJ/mol NIST
Δsub 104.70 kJ/mol NIST
Δsub 104.70 ± 0.30 kJ/mol NIST
Δsub 90.90 ± 0.40 kJ/mol NIST
Δvap 91.80 kJ/mol NIST
logPoct/wat 1.39 Crippen Calculated Property
Pc 4260.71 kPa Joback Calculated Property
Tboil 582.57 K Joback Calculated Property
Tc 787.82 K Joback Calculated Property
Tfus 374.05 ± 0.50 K NIST
Tfus 370.00 ± 6.00 K NIST
Tfus 374.00 ± 3.00 K NIST
Vc 0.42 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 0.00 Pa×s 582.57 Joback Calculated Property
ΔfusH 24.00 kJ/mol 374.6 NIST
ΔsubH [90.80; 104.70] kJ/mol [319.34; 360.50] Show Hide
ΔsubH 104.70 ± 0.30 kJ/mol 319.34 NIST
ΔsubH 101.20 kJ/mol 335.5 NIST
ΔsubH 90.80 ± 0.40 kJ/mol 360.5 NIST
ΔsubH 90.90 kJ/mol 360.5 NIST

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2-ethoxy-. Benzoic acid, 2,6-dimethoxy-. Benzoic acid, 2-methoxy-, methyl ester. 2-Methoxy-5-methylbenzoic acid. Benzoic acid, 2,4-dimethoxy-. Benzoic acid, 2,5-dimethoxy-. 4-Chloro-ortho-anisic acid. Benzoic acid, 2-methoxy-, ethyl ester. Benzoic acid, 2-hydroxy-. Benzoic acid, 2-(acetyloxy)-. Methyl 2-ethoxybenzoate. Methyl 2-hydroxy-6-methoxybenzoate. 2,4,6-Trimethoxybenzoic acid. Benzoic acid, 2,6-dimethoxy-, methyl ester. Ethylene glycol, 2-methoxybenzoate.

Find more compounds similar to Benzoic acid, 2-methoxy-.

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