Chemical Properties of Benzoic acid, 2-hydroxy-, phenylmethyl ester (CAS 118-58-1)

Benzoic acid, 2-hydroxy-, phenylmethyl ester

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InChI
InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChI Key
ZCTQGTTXIYCGGC-UHFFFAOYSA-N
Formula
C14H12O3
SMILES
O=C(OCc1ccccc1)c1ccccc1O
Molecular Weight1
228.24
CAS
118-58-1
Other Names
  • Salicylic acid, benzyl ester
  • Benzyl o-hydroxybenzoate
  • Benzyl salicylate
  • Salicyclic acid benzyl ester
  • benzyle salicylate
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Physical Properties

Property Value Unit Source
Δf -96.72 kJ/mol Joback Calculated Property
Δfgas -281.34 kJ/mol Joback Calculated Property
Δfus 28.67 kJ/mol Joback Calculated Property
Δvap 73.48 kJ/mol Joback Calculated Property
log10WS -3.37 Crippen Calculated Property
logPoct/wat 2.749 Crippen Calculated Property
McVol 173.910 ml/mol McGowan Calculated Property
Pc 3439.94 kPa Joback Calculated Property
Inp [1815.00; 1909.00]   Show Hide
Inp 1850.10 NIST
Inp 1859.00 NIST
Inp 1876.00 NIST
Inp 1869.80 NIST
Inp 1860.00 NIST
Inp 1863.00 NIST
Inp 1869.00 NIST
Inp 1860.00 NIST
Inp 1863.00 NIST
Inp 1830.00 NIST
Inp 1841.00 NIST
Inp 1828.00 NIST
Inp 1846.00 NIST
Inp 1846.00 NIST
Inp 1881.00 NIST
Inp 1857.00 NIST
Inp 1870.00 NIST
Inp 1860.00 NIST
Inp 1877.00 NIST
Inp 1876.00 NIST
Inp 1872.00 NIST
Inp 1899.00 NIST
Inp 1898.00 NIST
Inp 1898.00 NIST
Inp 1900.00 NIST
Inp 1903.00 NIST
Inp Outlier 1909.00 NIST
Inp 1862.00 NIST
Inp 1872.00 NIST
Inp 1863.00 NIST
Inp 1857.00 NIST
Inp 1866.00 NIST
Inp 1863.00 NIST
Inp 1827.00 NIST
Inp 1857.00 NIST
Inp 1877.40 NIST
Inp 1827.00 NIST
Inp 1815.00 NIST
Inp 1836.00 NIST
Inp 1827.00 NIST
Inp 1857.00 NIST
Inp 1816.00 NIST
Inp 1826.00 NIST
Inp 1864.00 NIST
Inp 1863.00 NIST
Inp 1840.00 NIST
Inp 1828.00 NIST
Inp 1886.00 NIST
Inp 1881.00 NIST
Inp 1824.00 NIST
Inp 1861.00 NIST
Inp 1866.00 NIST
Inp 1872.00 NIST
Inp 1863.00 NIST
Inp 1866.00 NIST
Inp 1861.00 NIST
Inp 1850.10 NIST
Inp 1870.00 NIST
Inp 1899.00 NIST
Inp Outlier 1909.00 NIST
Inp 1866.00 NIST
Inp 1827.00 NIST
Inp 1816.00 NIST
Inp 1828.00 NIST
I [2737.00; 2810.00]   Show Hide
I 2771.00 NIST
I 2767.00 NIST
I 2796.00 NIST
I 2737.00 NIST
I 2810.00 NIST
I 2804.00 NIST
I 2804.00 NIST
I 2796.00 NIST
I 2737.00 NIST
I 2771.00 NIST
Tboil 729.99 K Joback Calculated Property
Tc 979.95 K Joback Calculated Property
Tfus 295.15 ± 1.50 K NIST
Vc 0.594 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [464.36; 530.18] J/mol×K [729.99; 979.95] Show Hide
Cp,gas 464.36 J/mol×K 729.99 Joback Calculated Property
Cp,gas 477.44 J/mol×K 771.65 Joback Calculated Property
Cp,gas 489.51 J/mol×K 813.31 Joback Calculated Property
Cp,gas 500.71 J/mol×K 854.97 Joback Calculated Property
Cp,gas 511.14 J/mol×K 896.63 Joback Calculated Property
Cp,gas 520.92 J/mol×K 938.29 Joback Calculated Property
Cp,gas 530.18 J/mol×K 979.95 Joback Calculated Property
η [0.0000120; 0.0002882] Pa×s [484.26; 729.99] Show Hide
η 0.0002882 Pa×s 484.26 Joback Calculated Property
η 0.0001379 Pa×s 525.22 Joback Calculated Property
η 0.0000734 Pa×s 566.17 Joback Calculated Property
η 0.0000426 Pa×s 607.12 Joback Calculated Property
η 0.0000264 Pa×s 648.08 Joback Calculated Property
η 0.0000174 Pa×s 689.04 Joback Calculated Property
η 0.0000120 Pa×s 729.99 Joback Calculated Property
ΔvapH 78.70 kJ/mol 314.50 NIST

Similar Compounds

Verimol K. Benzyl 2-hydroxy-6-methoxybenzoate. Benzyl 4-hydroxybenzoate. 2-Methoxybenzoic acid, 2-methoxybenzyl ester. methyl salicylate. Benzoic acid, 2-hydroxy-5-methyl-, methyl ester. Benzoic acid, 2-hydroxy-3-methyl-, methyl ester. 2-Methoxybenzoic acid, 2-fluorobenzyl ester. Terephthalic acid, ethyl 2-methoxybenzyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. 3-Methoxybenzoic acid, 3-bromobenzyl ester. Phthalic acid, di(2-methoxybenzyl) ester. Benzoic acid, (4-chloro-2-methoxyphenyl)methyl ester. Benzyl Benzoate. 3-Methoxybenzoic acid, 3-chlorobenzyl ester.

Find more compounds similar to Benzoic acid, 2-hydroxy-, phenylmethyl ester.

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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