Chemical Properties of Acetic acid, phenyl ester (CAS 122-79-2)

Acetic acid, phenyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChI Key
IPBVNPXQWQGGJP-UHFFFAOYSA-N
Formula
C8H8O2
SMILES
CC(=O)Oc1ccccc1
Molecular Weight1
136.15
CAS
122-79-2
Other Names
  • Fenylester kyseliny octove
  • Phenol acetate
  • Phenyl acetate
  • Phenyl ester of acetic acid
  • phenyl ethanoate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcliquid -3966.00 ± 0.84 kJ/mol NIST
Δf -105.03 kJ/mol Joback Calculated Property
Δfgas [-280.00; -279.70] kJ/mol Show Hide
Δfgas -279.70 ± 1.20 kJ/mol NIST
Δfgas -280.00 ± 2.00 kJ/mol NIST
Δfliquid [-334.80; -326.00] kJ/mol Show Hide
Δfliquid -326.00 ± 0.80 kJ/mol NIST
Δfliquid -334.80 ± 0.92 kJ/mol NIST
Δfus 13.30 kJ/mol Joback Calculated Property
Δvap [46.30; 55.20] kJ/mol Show Hide
Δvap 53.30 kJ/mol NIST
Δvap 53.60 kJ/mol NIST
Δvap 53.10 kJ/mol NIST
Δvap 55.20 ± 0.80 kJ/mol NIST
Δvap Outlier 46.30 kJ/mol NIST
Δvap 54.00 ± 2.00 kJ/mol NIST
Δvap 54.80 kJ/mol NIST
IE [8.60; 8.80] eV Show Hide
IE 8.60 ± 0.05 eV NIST
IE 8.80 ± 0.20 eV NIST
IE 8.75 ± 0.03 eV NIST
log10WS -1.79 Crippen Calculated Property
logPoct/wat 1.612 Crippen Calculated Property
McVol 107.260 ml/mol McGowan Calculated Property
Pc 3862.67 kPa Joback Calculated Property
Inp [1008.00; 1068.00]   Show Hide
Inp 1008.00 NIST
Inp 1025.00 NIST
Inp 1008.00 NIST
Inp 1025.00 NIST
Inp 1033.00 NIST
Inp 1033.00 NIST
Inp 1068.00 NIST
Inp 1050.00 NIST
Inp 1065.00 NIST
Inp 1068.00 NIST
Inp 1033.00 NIST
I [1633.00; 1660.00]   Show Hide
I 1633.00 NIST
I 1660.00 NIST
Tboil [468.00; 469.90] K Show Hide
Tboil 469.20 K NIST
Tboil 468.00 K NIST
Tboil 468.85 K NIST
Tboil 468.85 ± 0.40 K NIST
Tboil 468.90 ± 0.50 K NIST
Tboil 468.90 ± 0.50 K NIST
Tboil 468.70 ± 0.50 K NIST
Tboil 469.00 ± 4.00 K NIST
Tboil Outlier 469.90 ± 1.00 K NIST
Tc 705.10 K Joback Calculated Property
Tfus 267.05 K NIST
Vc 0.400 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [214.26; 273.64] J/mol×K [485.41; 705.10] Show Hide
Cp,gas 214.26 J/mol×K 485.41 Joback Calculated Property
Cp,gas 225.73 J/mol×K 522.02 Joback Calculated Property
Cp,gas 236.56 J/mol×K 558.64 Joback Calculated Property
Cp,gas 246.75 J/mol×K 595.25 Joback Calculated Property
Cp,gas 256.31 J/mol×K 631.87 Joback Calculated Property
Cp,gas 265.28 J/mol×K 668.48 Joback Calculated Property
Cp,gas 273.64 J/mol×K 705.10 Joback Calculated Property
η [0.0002430; 0.0022895] Pa×s [278.50; 485.41] Show Hide
η 0.0022895 Pa×s 278.50 Joback Calculated Property
η 0.0012822 Pa×s 312.99 Joback Calculated Property
η 0.0008057 Pa×s 347.47 Joback Calculated Property
η 0.0005505 Pa×s 381.95 Joback Calculated Property
η 0.0004007 Pa×s 416.44 Joback Calculated Property
η 0.0003062 Pa×s 450.92 Joback Calculated Property
η 0.0002430 Pa×s 485.41 Joback Calculated Property
ΔvapH 51.70 kJ/mol 390.00 NIST
Pvap [3.50; 66.10] kPa [373.20; 453.20] Show Hide
Pvap 3.50 kPa 373.20 Isother...
Pvap 18.20 kPa 413.20 Isother...
Pvap 66.10 kPa 453.20 Isother...
ρl [1073.00; 1073.30] kg/m3 [298.15; 298.20] Show Hide
ρl 1073.30 kg/m3 298.15 Revisio...
ρl 1073.00 kg/m3 298.20 Investi...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [350.99; 496.64] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.63860e+01
Coefficient B-5.16870e+03
Coefficient C-2.99210e+01
Temperature range, min.350.99
Temperature range, max.496.64
Pvap 1.33 kPa 350.99 Calculated Property
Pvap 2.89 kPa 367.17 Calculated Property
Pvap 5.82 kPa 383.36 Calculated Property
Pvap 11.05 kPa 399.54 Calculated Property
Pvap 19.86 kPa 415.72 Calculated Property
Pvap 34.06 kPa 431.91 Calculated Property
Pvap 56.02 kPa 448.09 Calculated Property
Pvap 88.78 kPa 464.27 Calculated Property
Pvap 136.14 kPa 480.46 Calculated Property
Pvap 202.64 kPa 496.64 Calculated Property

Similar Compounds

1,4-Benzenediol, diacetate. 1,3-Benzenediol, diacetate. Acetic acid, chloro-, phenyl ester. 2-Naphthalenol, acetate. Phenol, 4-methoxy-, acetate. Hydroquinone, acetate. Resorcinol monoacetate. Acetic acid, 4-chlorophenyl ester. Anthracen-2-ol, acetate. Phenol, 3-methoxy-, acetate. Propanoic acid, phenyl ester. 1,2-Benzenediol, diacetate. Acetic acid, trifluoro-, phenyl ester. Acetic acid,3-chlorophenyl ester. 1-Acetoxy-4-fluorobenzene.

Find more compounds similar to Acetic acid, phenyl ester.

Mixtures

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.