Chemical Properties of methyl 4-hydroxybenzoate (CAS 99-76-3)

methyl 4-hydroxybenzoate

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InChI
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChI Key
LXCFILQKKLGQFO-UHFFFAOYSA-N
Formula
C8H8O3
SMILES
COC(=O)c1ccc(O)cc1
Molecular Weight1
152.15
CAS
99-76-3
Other Names
  • Benzoic acid, 4-hydroxy-, methyl ester
  • Methylparaben
  • methyl p-hydroxybenzoate
  • p-hydroxybenzoic acid methyl ester

Physical Properties

Property Value Unit Source
PAff 863.40 kJ/mol NIST
BasG 832.50 kJ/mol NIST
Δf -259.65 kJ/mol Joback Calculated Property
Δfgas -394.03 kJ/mol Joback Calculated Property
Δfus [25.03; 30.20] kJ/mol Show Hide
Δfus 26.40 kJ/mol Thermod...
Δfus 30.20 kJ/mol The sta...
Δfus 25.70 kJ/mol Solubil...
Δfus 25.84 kJ/mol Experim...
Δfus 25.03 kJ/mol Evaluat...
Δsub 98.80 ± 0.80 kJ/mol NIST
Δvap 83.10 kJ/mol NIST
log10WS [-1.83; -1.78]   Show Hide
log10WS -1.78 Aq. Sol...
log10WS -1.83 Estimat...
logPoct/wat 1.179 Crippen Calculated Property
McVol 113.130 ml/mol McGowan Calculated Property
Pc 4691.31 kPa Joback Calculated Property
Inp [1410.00; 1475.00]   Show Hide
Inp 1410.00 NIST
Inp 1419.00 NIST
Inp 1459.00 NIST
Inp 1465.00 NIST
Inp 1435.00 NIST
Inp 1452.00 NIST
Inp 1470.40 NIST
Inp 1460.00 NIST
Inp 1475.00 NIST
Inp 1420.00 NIST
Inp 1419.00 NIST
Inp 1435.00 NIST
Inp 1419.00 NIST
Inp 1419.00 NIST
Inp 1452.00 NIST
Inp 1459.00 NIST
I [2911.00; 2932.00]   Show Hide
I 2932.00 NIST
I 2930.00 NIST
I 2932.00 NIST
I 2911.00 NIST
I 2925.00 NIST
I 2911.00 NIST
Tboil 566.03 K Joback Calculated Property
Tc 798.25 K Joback Calculated Property
Tfus [396.30; 402.77] K Show Hide
Tfus Outlier 402.77 K Aq. Sol...
Tfus 399.00 K Thermod...
Tfus 398.60 K The sta...
Tfus 398.90 K Solubil...
Tfus 399.00 K Experim...
Tfus 396.30 K Evaluat...
Tfus 398.40 ± 0.50 K NIST
Vc 0.365 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [259.25; 311.19] J/mol×K [566.03; 798.25] Show Hide
Cp,gas 259.25 J/mol×K 566.03 Joback Calculated Property
Cp,gas 269.54 J/mol×K 604.73 Joback Calculated Property
Cp,gas 279.09 J/mol×K 643.44 Joback Calculated Property
Cp,gas 287.96 J/mol×K 682.14 Joback Calculated Property
Cp,gas 296.23 J/mol×K 720.84 Joback Calculated Property
Cp,gas 303.95 J/mol×K 759.54 Joback Calculated Property
Cp,gas 311.19 J/mol×K 798.25 Joback Calculated Property
Cp,solid [209.80; 222.80] J/mol×K [293.15; 312.15] Show Hide
Cp,solid 209.80 J/mol×K 293.15 Experim...
Cp,solid 211.00 J/mol×K 294.15 Experim...
Cp,solid 212.20 J/mol×K 295.15 Experim...
Cp,solid 212.80 J/mol×K 296.15 Experim...
Cp,solid 213.60 J/mol×K 297.15 Experim...
Cp,solid 214.40 J/mol×K 298.15 Experim...
Cp,solid 214.41 J/mol×K 298.15 Evaluat...
Cp,solid 215.20 J/mol×K 299.15 Experim...
Cp,solid 215.70 J/mol×K 300.15 Experim...
Cp,solid 216.20 J/mol×K 301.15 Experim...
Cp,solid 217.00 J/mol×K 302.15 Experim...
Cp,solid 217.80 J/mol×K 303.15 Experim...
Cp,solid 218.40 J/mol×K 304.15 Experim...
Cp,solid 218.90 J/mol×K 305.15 Experim...
Cp,solid 219.30 J/mol×K 306.15 Experim...
Cp,solid 220.10 J/mol×K 307.15 Experim...
Cp,solid 220.60 J/mol×K 308.15 Experim...
Cp,solid 221.20 J/mol×K 309.15 Experim...
Cp,solid 221.70 J/mol×K 310.15 Experim...
Cp,solid 222.40 J/mol×K 311.15 Experim...
Cp,solid 222.80 J/mol×K 312.15 Experim...
η [0.0000501; 0.0011881] Pa×s [390.22; 566.03] Show Hide
η 0.0011881 Pa×s 390.22 Joback Calculated Property
η 0.0005829 Pa×s 419.52 Joback Calculated Property
η 0.0003139 Pa×s 448.82 Joback Calculated Property
η 0.0001823 Pa×s 478.12 Joback Calculated Property
η 0.0001128 Pa×s 507.43 Joback Calculated Property
η 0.0000735 Pa×s 536.73 Joback Calculated Property
η 0.0000501 Pa×s 566.03 Joback Calculated Property
ΔfusH [24.31; 25.30] kJ/mol [398.50; 399.20] Show Hide
ΔfusH 24.31 kJ/mol 398.50 NIST
ΔfusH 24.31 kJ/mol 398.50 NIST
ΔfusH 25.30 kJ/mol 399.20 NIST
ΔvapH [78.20; 107.40] kJ/mol [362.00; 481.50] Show Hide
ΔvapH 107.40 kJ/mol 362.00 Evaluat...
ΔvapH 78.20 kJ/mol 418.00 Experim...
ΔvapH 81.50 kJ/mol 481.50 NIST
Psub [7.60e-05; 0.11] kPa [323.10; 396.17] Show Hide
Psub 7.60e-05 kPa 323.10 Thermod...
Psub 9.70e-05 kPa 325.17 Thermod...
Psub 1.23e-04 kPa 327.18 Thermod...
Psub 1.57e-04 kPa 329.09 Thermod...
Psub 1.99e-04 kPa 331.14 Thermod...
Psub 2.47e-04 kPa 333.17 Thermod...
Psub 3.17e-04 kPa 335.09 Thermod...
Psub 3.99e-04 kPa 337.15 Thermod...
Psub 5.10e-04 kPa 338.93 Thermod...
Psub 4.92e-04 kPa 339.18 Thermod...
Psub 6.10e-04 kPa 340.89 Thermod...
Psub 6.24e-04 kPa 341.10 Thermod...
Psub 7.60e-04 kPa 342.87 Thermod...
Psub 7.81e-04 kPa 343.15 Thermod...
Psub 9.50e-04 kPa 344.86 Thermod...
Psub 9.61e-04 kPa 345.17 Thermod...
Psub 1.16e-03 kPa 346.81 Thermod...
Psub 1.45e-03 kPa 348.81 Thermod...
Psub 1.78e-03 kPa 350.78 Thermod...
Psub 2.19e-03 kPa 352.76 Thermod...
Psub 2.70e-03 kPa 354.74 Thermod...
Psub 3.27e-03 kPa 356.70 Thermod...
Psub 4.01e-03 kPa 358.68 Thermod...
Psub 4.85e-03 kPa 360.66 Thermod...
Psub 5.95e-03 kPa 362.64 Thermod...
Psub 7.22e-03 kPa 364.61 Thermod...
Psub 8.75e-03 kPa 366.59 Thermod...
Psub 0.01 kPa 368.57 Thermod...
Psub 0.01 kPa 370.54 Thermod...
Psub 0.02 kPa 372.51 Thermod...
Psub 0.02 kPa 374.48 Thermod...
Psub 0.02 kPa 376.47 Thermod...
Psub 0.03 kPa 378.42 Thermod...
Psub 0.03 kPa 380.41 Thermod...
Psub 0.04 kPa 382.39 Thermod...
Psub 0.04 kPa 384.36 Thermod...
Psub 0.05 kPa 386.29 Thermod...
Psub 0.06 kPa 388.30 Thermod...
Psub 0.07 kPa 390.23 Thermod...
Psub 0.08 kPa 392.23 Thermod...
Psub 0.10 kPa 394.18 Thermod...
Psub 0.11 kPa 396.17 Thermod...
Pvap [0.05; 0.56] kPa [382.70; 423.70] Show Hide
Pvap 0.05 kPa 382.70 Thermod...
Pvap 0.06 kPa 385.50 Thermod...
Pvap 0.07 kPa 387.30 Thermod...
Pvap 0.08 kPa 390.30 Thermod...
Pvap 0.10 kPa 393.30 Thermod...
Pvap 0.11 kPa 395.20 Thermod...
Pvap 0.14 kPa 398.10 Thermod...
Pvap 0.15 kPa 400.20 Thermod...
Pvap 0.17 kPa 402.10 Thermod...
Pvap 0.19 kPa 404.10 Thermod...
Pvap 0.22 kPa 406.00 Thermod...
Pvap 0.24 kPa 408.00 Thermod...
Pvap 0.27 kPa 410.00 Thermod...
Pvap 0.30 kPa 412.00 Thermod...
Pvap 0.34 kPa 413.90 Thermod...
Pvap 0.37 kPa 415.90 Thermod...
Pvap 0.41 kPa 417.80 Thermod...
Pvap 0.46 kPa 419.80 Thermod...
Pvap 0.51 kPa 421.80 Thermod...
Pvap 0.56 kPa 423.70 Thermod...
ρs 1394.00 kg/m3 296.00 The sta...

Similar Compounds

Ethylparaben. Benzoic acid, 4-methoxy-, methyl ester. Benzoic acid, 3,4-dihydroxy-, methyl ester. 4-hydroxybenzoic acid. Benzoic acid, 3-hydroxy-, methyl ester. Benzoic acid, 2,4-dihydroxy-, methyl ester. isopropyl 4-hydroxybenzoate. Methyl 4-trifluoroacetyloxybenzoate. methyl salicylate. Benzyl 4-hydroxybenzoate. Benzoic acid, 4-(acetyloxy)-, methyl ester. 1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester. Diphenyl ether, 4-methoxycarbonyl-4'-methyl. propyl 4-hydroxybenzoate. Isobutyl 4-hydroxybenzoate.

Find more compounds similar to methyl 4-hydroxybenzoate.

Mixtures

Sources

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

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