Chemical Properties of Benzoic acid, 4-methoxy- (CAS 100-09-4)

Benzoic acid, 4-methoxy-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Formula
C8H8O3
SMILES
COc1ccc(C(=O)O)cc1
Molecular Weight1
152.15
CAS
100-09-4
Other Names
  • 4-Anisic acid
  • 4-Methoxybenzoic acid
  • Anisic acid, para
  • Draconic acid
  • Kyselina 4-methoxybenzoova
  • p-Anisic acid
  • p-Methoxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3729.71 ± 0.75 kJ/mol NIST
Δf -251.48 kJ/mol Joback Calculated Property
Δfgas -451.90 ± 1.40 kJ/mol NIST
Δfsolid -561.70 ± 1.30 kJ/mol NIST
Δfus 17.00 kJ/mol Joback Calculated Property
Δsub 111.60 ± 0.60 kJ/mol NIST
Δsub 109.80 ± 0.60 kJ/mol NIST
Δsub 109.80 kJ/mol NIST
Δvap 92.00 kJ/mol NIST
IE 9.00 ± 0.20 eV NIST
logPoct/wat 1.393 Crippen Calculated Property
Pc 4260.71 kPa Joback Calculated Property
gas 413.00 J/mol×K NIST
Tboil 582.57 K Joback Calculated Property
Tc 787.82 K Joback Calculated Property
Tfus [456.15; 457.80] K Show Hide
Tfus 456.15 ± 1.00 K NIST
Tfus 456.75 ± 0.20 K NIST
Tfus 457.80 ± 0.50 K NIST
Tfus 457.00 ± 1.00 K NIST
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
Cp,solid 205.00 J/mol×K 323.0 NIST
η 0.0000919 Pa×s 582.57 Joback Calculated Property
ΔfusH 29.90 kJ/mol 455.6 NIST
ΔfusH 28.33 kJ/mol 456.7 NIST
ΔfusH 28.40 kJ/mol 457.8 NIST
ΔsubH 109.80 ± 0.60 kJ/mol 334.61 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

4-Ethoxybenzoic acid. 4-Propoxybenzoic acid. Benzoic acid, 4-methoxy-, methyl ester. Benzoic acid, 4-hydroxy-. 4-n-Butoxybenzoic acid. 4-Benzyloxybenzoic acid. Benzoic acid, 4-(acetyloxy)-. 4-(Trifluoromethoxy)benzoic acid. 4-Pentyloxybenzoic acid. 4-(Hexyloxy)benzoic acid. P-nonyloxybenzoic acid. 4-Octyloxybenzoic acid. 4-Heptyloxybenzoic acid. p-n-Octadecyloxybenzoic acid. Benzoic acid, 4-(dodecyloxy)-.

Find more compounds similar to Benzoic acid, 4-methoxy-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.