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
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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 23.90 kJ/mol Benzoic...
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
log10WS -1.56 Aq. Sol...
logPoct/wat 1.393 Crippen Calculated Property
McVol 113.130 ml/mol McGowan Calculated Property
Pc 4260.71 kPa Joback Calculated Property
Inp 1490.00 NIST
Tboil 582.57 K Joback Calculated Property
Tc 787.82 K Joback Calculated Property
Tfus [370.00; 374.45] K Show Hide
Tfus 373.65 K Aq. Sol...
Tfus 374.45 K KDB
Tfus 374.05 ± 0.50 K NIST
Tfus 370.00 ± 6.00 K NIST
Tfus 374.00 ± 3.00 K NIST
Vc 0.418 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [257.47; 305.30] J/mol×K [582.57; 787.82] Show Hide
Cp,gas 257.47 J/mol×K 582.57 Joback Calculated Property
Cp,gas 266.70 J/mol×K 616.78 Joback Calculated Property
Cp,gas 275.42 J/mol×K 650.99 Joback Calculated Property
Cp,gas 283.63 J/mol×K 685.20 Joback Calculated Property
Cp,gas 291.34 J/mol×K 719.41 Joback Calculated Property
Cp,gas 298.56 J/mol×K 753.62 Joback Calculated Property
Cp,gas 305.30 J/mol×K 787.82 Joback Calculated Property
η [0.0000920; 0.0031310] Pa×s [351.84; 582.57] Show Hide
η 0.0031310 Pa×s 351.84 Joback Calculated Property
η 0.0013019 Pa×s 390.30 Joback Calculated Property
η 0.0006336 Pa×s 428.75 Joback Calculated Property
η 0.0003472 Pa×s 467.20 Joback Calculated Property
η 0.0002085 Pa×s 505.66 Joback Calculated Property
η 0.0001345 Pa×s 544.12 Joback Calculated Property
η 0.0000920 Pa×s 582.57 Joback Calculated Property
ΔfusH 24.00 kJ/mol 374.60 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 335.50 NIST
ΔsubH 90.80 ± 0.40 kJ/mol 360.50 NIST
ΔsubH 90.90 kJ/mol 360.50 NIST
Psub [9.80e-04; 0.02] kPa [342.40; 371.50] Show Hide
Psub 9.80e-04 kPa 342.40 Thermod...
Psub 1.52e-03 kPa 346.20 Thermod...
Psub 1.81e-03 kPa 348.20 Thermod...
Psub 2.21e-03 kPa 350.30 Thermod...
Psub 2.72e-03 kPa 352.20 Thermod...
Psub 3.47e-03 kPa 354.30 Thermod...
Psub 4.19e-03 kPa 356.20 Thermod...
Psub 5.36e-03 kPa 358.90 Thermod...
Psub 6.80e-03 kPa 361.40 Thermod...
Psub 8.13e-03 kPa 363.20 Thermod...
Psub 0.01 kPa 366.20 Thermod...
Psub 0.01 kPa 367.90 Thermod...
Psub 0.02 kPa 371.50 Thermod...

Correlations

Property Value Unit Temperature (K) Source
Pvap [6.85e-05; 4.50e-04] kPa [319.15; 335.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A-1.20317e+02
Coefficient B-6.18426e+03
Coefficient C2.28341e+01
Coefficient D-1.51976e-05
Temperature range, min.319.15
Temperature range, max.335.15
Pvap 6.85e-05 kPa 319.15 Calculated Property
Pvap 8.51e-05 kPa 320.93 Calculated Property
Pvap 1.05e-04 kPa 322.71 Calculated Property
Pvap 1.30e-04 kPa 324.48 Calculated Property
Pvap 1.61e-04 kPa 326.26 Calculated Property
Pvap 1.99e-04 kPa 328.04 Calculated Property
Pvap 2.44e-04 kPa 329.82 Calculated Property
Pvap 3.00e-04 kPa 331.59 Calculated Property
Pvap 3.68e-04 kPa 333.37 Calculated Property
Pvap 4.50e-04 kPa 335.15 Calculated Property

Similar Compounds

Benzoic acid, 2,4-dimethoxy-. Benzoic acid, 2-ethoxy-. 2,5-Dimethoxybenzoic acid. Benzoic acid, 2,6-dimethoxy-. O-(carboxymethoxy) benzoic acid. Benzoic acid, 2-methoxy-, methyl ester. 4-Chloro-ortho-anisic acid. 2-Methoxybenzoic acid anhydride. Benzoic acid, 2-methoxy-, phenyl ester. 2,3-Dimethoxybenzoic acid. Aspirin. o-Anisic acid, 4-methoxyphenyl ester. Salicylic acid, methyl carbonate. Benzoic acid, 2-methoxy-, trimethylsilyl ester. 2-Methoxy-5-methylbenzoic acid.

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

Sources

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