Chemical Properties of Benzoic acid, phenyl ester (CAS 93-99-2)

Benzoic acid, phenyl ester

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InChI
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChI Key
FCJSHPDYVMKCHI-UHFFFAOYSA-N
Formula
C13H10O2
SMILES
O=C(Oc1ccccc1)c1ccccc1
Molecular Weight1
198.22
CAS
93-99-2
Other Names
  • Phenyl benzoate
  • benzoin
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Physical Properties

Property Value Unit Source
Δcsolid [-6309.00; -6304.00] kJ/mol Show Hide
Δcsolid -6304.00 ± 3.00 kJ/mol NIST
Δcsolid -6309.00 ± 15.00 kJ/mol NIST
Δf 49.48 kJ/mol Joback Calculated Property
Δfgas [-152.00; -142.00] kJ/mol Show Hide
Δfgas -142.00 ± 3.00 kJ/mol NIST
Δfgas -152.00 ± 4.70 kJ/mol NIST
Δfgas -150.00 kJ/mol NIST
Δfsolid [-241.00; -238.00] kJ/mol Show Hide
Δfsolid -241.00 ± 2.00 kJ/mol NIST
Δfsolid -241.00 ± 3.00 kJ/mol NIST
Δfsolid -238.00 ± 15.00 kJ/mol NIST
Δfus 20.30 kJ/mol Joback Calculated Property
Δsub [99.00; 99.00] kJ/mol Show Hide
Δsub 99.00 ± 0.40 kJ/mol NIST
Δsub 99.00 ± 0.40 kJ/mol NIST
Δvap 58.24 kJ/mol Joback Calculated Property
IE [8.63; 9.00] eV Show Hide
IE 8.80 ± 0.15 eV NIST
IE 8.76 eV NIST
IE 8.63 eV NIST
IE 9.00 eV NIST
IE 8.98 ± 0.05 eV NIST
log10WS -2.85 Aq. Sol...
logPoct/wat 2.906 Crippen Calculated Property
McVol 153.950 ml/mol McGowan Calculated Property
Pc 3235.66 kPa Joback Calculated Property
Inp 1604.00 NIST
I [2514.00; 2514.00]   Show Hide
I 2514.00 NIST
I 2514.00 NIST
Tboil 571.70 K NIST
Tc 874.68 K Joback Calculated Property
Tfus [341.00; 344.15] K Show Hide
Tfus 342.35 K Aq. Sol...
Tfus 344.15 ± 1.50 K NIST
Tfus 341.00 ± 3.00 K NIST
Vc 0.572 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [366.53; 437.96] J/mol×K [626.49; 874.68] Show Hide
Cp,gas 366.53 J/mol×K 626.49 Joback Calculated Property
Cp,gas 381.28 J/mol×K 667.85 Joback Calculated Property
Cp,gas 394.82 J/mol×K 709.22 Joback Calculated Property
Cp,gas 407.20 J/mol×K 750.58 Joback Calculated Property
Cp,gas 418.48 J/mol×K 791.95 Joback Calculated Property
Cp,gas 428.71 J/mol×K 833.31 Joback Calculated Property
Cp,gas 437.96 J/mol×K 874.68 Joback Calculated Property
η [0.0001665; 0.0016739] Pa×s [361.27; 626.49] Show Hide
η 0.0016739 Pa×s 361.27 Joback Calculated Property
η 0.0009238 Pa×s 405.47 Joback Calculated Property
η 0.0005731 Pa×s 449.68 Joback Calculated Property
η 0.0003872 Pa×s 493.88 Joback Calculated Property
η 0.0002790 Pa×s 538.08 Joback Calculated Property
η 0.0002113 Pa×s 582.29 Joback Calculated Property
η 0.0001665 Pa×s 626.49 Joback Calculated Property
ΔvapH 62.40 kJ/mol 483.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [431.70; 624.56] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52259e+01
Coefficient B-5.68560e+03
Coefficient C-5.10940e+01
Temperature range, min.431.70
Temperature range, max.624.56
Pvap 1.33 kPa 431.70 Calculated Property
Pvap 2.96 kPa 453.13 Calculated Property
Pvap 6.05 kPa 474.56 Calculated Property
Pvap 11.54 kPa 495.99 Calculated Property
Pvap 20.77 kPa 517.42 Calculated Property
Pvap 35.48 kPa 538.84 Calculated Property
Pvap 57.95 kPa 560.27 Calculated Property
Pvap 90.98 kPa 581.70 Calculated Property
Pvap 137.90 kPa 603.13 Calculated Property
Pvap 202.64 kPa 624.56 Calculated Property

Similar Compounds

1,3-Phenylenedibenzoate. Diphenyl terephthalate. Diphenyl isophthalate. 1,4-Benzenediol, monobenzoate. 1,3-Benzenediol, monobenzoate. Benzoic acid, 4-cyano-, phenyl ester. 2-Naphthyl benzoate. 4-Chlorophenyl benzoate. 1,2-Bis(benzoyloxy)benzene. Benzoic acid, 4-methoxy-, phenyl ester. 4-Bromobenzoic acid, phenyl ester. 1,3,5-Benzenetricarboxylic acid, triphenyl ester. 4-Fluorobenzoic acid, phenyl ester. Benzoic acid, 4-methyl-, phenyl ester. 1-Naphthalenol, benzoate.

Find more compounds similar to Benzoic acid, phenyl ester.

Sources

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