Chemical Properties of Benzoic acid, 4-methoxy-, methyl ester (CAS 121-98-2)

Benzoic acid, 4-methoxy-, methyl ester

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

InChI
InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChI Key
DDIZAANNODHTRB-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
COC(=O)c1ccc(OC)cc1
Molecular Weight1
166.17
CAS
121-98-2
Other Names
  • 4-Methoxybenzoic acid methyl ester
  • 4-methoxy methylbenzoate
  • 4-methoxybenzoic acid, methyl ester
  • Benzoic acid, p-methoxy-, methyl ester
  • Methyl 4-methoxybenzoate
  • Methyl anisate
  • Methyl ester of p-Methoxybenzoic acid
  • Methyl p-anisate
  • Methyl p-methoxybenzoate
  • NSC 7324
  • p-Anisic acid, methyl ester
  • p-Methoxybenzoic acid methyl ester

Physical Properties

Property Value Unit Source
PAff 870.60 kJ/mol NIST
BasG 839.60 kJ/mol NIST
Δf -211.24 kJ/mol Joback Calculated Property
Δfgas -433.00 kJ/mol NIST
Δfsolid -520.90 ± 1.60 kJ/mol NIST
Δfus [18.80; 19.90] kJ/mol Show Hide
Δfus 18.80 kJ/mol Thermod...
Δfus 19.90 kJ/mol Thermoc...
Δsub [87.90; 87.90] kJ/mol Show Hide
Δsub 87.90 ± 6.30 kJ/mol NIST
Δsub 87.90 kJ/mol NIST
Δvap 50.13 kJ/mol Joback Calculated Property
IE [8.24; 8.43] eV Show Hide
IE 8.24 eV NIST
IE 8.43 ± 0.04 eV NIST
log10WS -1.81 Aq. Sol...
logPoct/wat 1.482 Crippen Calculated Property
McVol 127.220 ml/mol McGowan Calculated Property
Pc 3314.37 kPa Joback Calculated Property
Inp [1320.00; 1395.00]   Show Hide
Inp 1350.00 NIST
Inp 1395.00 NIST
Inp 1340.00 NIST
Inp 1373.00 NIST
Inp 1322.00 NIST
Inp 1357.00 NIST
Inp 1376.00 NIST
Inp 1386.00 NIST
Inp 1378.00 NIST
Inp 1340.00 NIST
Inp 1333.00 NIST
Inp 1333.00 NIST
Inp 1336.00 NIST
Inp 1336.00 NIST
Inp 1373.00 NIST
Inp 1375.00 NIST
Inp 1320.00 NIST
Inp 1337.00 NIST
Inp 1335.00 NIST
Inp 1345.00 NIST
Inp 1358.00 NIST
Inp 1354.00 NIST
Inp 1359.00 NIST
Inp 1337.00 NIST
Inp 1337.00 NIST
Inp 1357.00 NIST
Inp 1358.00 NIST
Inp 1376.00 NIST
Inp 1333.00 NIST
Inp 1320.00 NIST
Inp 1395.00 NIST
I [2071.00; 2131.00]   Show Hide
I Outlier 2131.00 NIST
I 2085.00 NIST
I 2092.00 NIST
I 2071.00 NIST
I 2084.00 NIST
I 2088.00 NIST
I 2085.00 NIST
I 2071.00 NIST
Tboil [517.70; 529.20] K Show Hide
Tboil 517.70 K NIST
Tboil 529.20 K NIST
Tc 750.72 K Joback Calculated Property
Tfus [320.60; 322.82] K Show Hide
Tfus 322.82 K Aq. Sol...
Tfus 320.60 K Thermod...
Ttriple 321.22 K Thermoc...
Vc 0.473 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [278.97; 342.37] J/mol×K [535.69; 750.72] Show Hide
Cp,gas 278.97 J/mol×K 535.69 Joback Calculated Property
Cp,gas 291.01 J/mol×K 571.53 Joback Calculated Property
Cp,gas 302.48 J/mol×K 607.37 Joback Calculated Property
Cp,gas 313.35 J/mol×K 643.20 Joback Calculated Property
Cp,gas 323.62 J/mol×K 679.04 Joback Calculated Property
Cp,gas 333.30 J/mol×K 714.88 Joback Calculated Property
Cp,gas 342.37 J/mol×K 750.72 Joback Calculated Property
η [0.0001861; 0.0013483] Pa×s [324.52; 535.69] Show Hide
η 0.0013483 Pa×s 324.52 Joback Calculated Property
η 0.0008247 Pa×s 359.72 Joback Calculated Property
η 0.0005507 Pa×s 394.91 Joback Calculated Property
η 0.0003928 Pa×s 430.11 Joback Calculated Property
η 0.0002949 Pa×s 465.30 Joback Calculated Property
η 0.0002305 Pa×s 500.50 Joback Calculated Property
η 0.0001861 Pa×s 535.69 Joback Calculated Property
ΔvapH [61.10; 66.40] kJ/mol [370.00; 427.00] Show Hide
ΔvapH 66.40 kJ/mol 370.00 Thermoc...
ΔvapH 61.10 kJ/mol 427.00 NIST
Psub [4.20e-04; 9.86e-03] kPa [291.99; 319.88] Show Hide
Psub 4.20e-04 kPa 291.99 Thermod...
Psub 5.50e-04 kPa 294.02 Thermod...
Psub 7.00e-04 kPa 295.98 Thermod...
Psub 9.00e-04 kPa 297.99 Thermod...
Psub 1.13e-03 kPa 299.97 Thermod...
Psub 1.44e-03 kPa 301.98 Thermod...
Psub 1.80e-03 kPa 303.94 Thermod...
Psub 2.26e-03 kPa 305.91 Thermod...
Psub 2.82e-03 kPa 307.93 Thermod...
Psub 3.51e-03 kPa 309.94 Thermod...
Psub 4.35e-03 kPa 311.90 Thermod...
Psub 5.39e-03 kPa 313.90 Thermod...
Psub 6.61e-03 kPa 315.89 Thermod...
Psub 8.09e-03 kPa 317.91 Thermod...
Psub 9.86e-03 kPa 319.88 Thermod...
Pvap [4.47e-03; 0.13] kPa [309.93; 355.71] Show Hide
Pvap 4.47e-03 kPa 309.93 Thermod...
Pvap 5.28e-03 kPa 311.93 Thermod...
Pvap 6.24e-03 kPa 313.90 Thermod...
Pvap 7.34e-03 kPa 315.88 Thermod...
Pvap 8.70e-03 kPa 317.96 Thermod...
Pvap 0.01 kPa 319.95 Thermod...
Pvap 0.01 kPa 321.92 Thermod...
Pvap 0.01 kPa 323.93 Thermod...
Pvap 0.02 kPa 325.92 Thermod...
Pvap 0.02 kPa 327.91 Thermod...
Pvap 0.02 kPa 329.91 Thermod...
Pvap 0.03 kPa 331.89 Thermod...
Pvap 0.03 kPa 333.88 Thermod...
Pvap 0.03 kPa 335.84 Thermod...
Pvap 0.04 kPa 337.86 Thermod...
Pvap 0.05 kPa 339.81 Thermod...
Pvap 0.05 kPa 341.82 Thermod...
Pvap 0.06 kPa 343.79 Thermod...
Pvap 0.07 kPa 345.79 Thermod...
Pvap 0.08 kPa 347.76 Thermod...
Pvap 0.09 kPa 349.76 Thermod...
Pvap 0.10 kPa 351.74 Thermod...
Pvap 0.11 kPa 353.73 Thermod...
Pvap 0.13 kPa 355.71 Thermod...

Similar Compounds

Benzoic acid, 4-methoxy-, ethyl ester. 4-Methoxybenzoic acid anhydride. Benzoic acid, 4-methoxy-. 4-Methoxybenzoic trifluoroacetic anhydride. 4-Methoxybenzoic acetic anhydride. Benzoic acid, 4-(acetyloxy)-, methyl ester. Methyl 4-trifluoroacetyloxybenzoate. methyl 4-hydroxybenzoate. Benzoic acid, 3-methoxy-, methyl ester. Benzoic acid, 4-(neopentyl)oxy-, methyl ester. Benzoic acid, 4-ethoxy-, ethyl ester. Benzoic acid, 4-(isopropyl)oxy-, methyl ester. 4-Methoxybenzoic acid, isopropyl ester. Benzoic acid, 3,4-dimethoxy-, methyl ester. Benzoic acid,4-propyloxy, methyl ester.

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

Sources

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.