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

Acetic acid, phenyl ester

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
  • Acetic acid phenyl ester
  • Fenylester kyseliny octove
  • Phenol acetate
  • Phenyl ester of acetic acid
  • phenyl acetate
  • 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
ω [0.4160; 0.4335]   Show Hide
ω 0.4335 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.4160 ChemSep v8.3 pure component data Compiled value
ΔcH°liquid -3966.00 ± 0.84 kJ/mol NIST
μ 1.72 debye ChemSep v8.3 pure component data Compiled value
ΔfG° -177.30 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas [-280.00; -279.70] kJ/mol Show Hide
ΔfH°gas -279.70 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -279.70 ± 1.20 kJ/mol NIST
ΔfH°gas -280.00 ± 2.00 kJ/mol NIST
ΔfH°liquid [-334.80; -326.00] kJ/mol Show Hide
ΔfH°liquid -326.00 ± 0.80 kJ/mol NIST
ΔfH°liquid -334.80 ± 0.92 kJ/mol NIST
ΔfusH° 14.89 kJ/mol Joback Calculated Property
ΔvapH° [46.30; 55.20] kJ/mol Show Hide
ΔvapH° 53.30 kJ/mol NIST
ΔvapH° 53.60 kJ/mol NIST
ΔvapH° 53.10 kJ/mol NIST
ΔvapH° 55.20 ± 0.80 kJ/mol NIST
ΔvapH° Outlier 46.30 kJ/mol NIST
ΔvapH° 54.00 ± 2.00 kJ/mol NIST
ΔvapH° 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 -1.63 Relay (1.0) Calculated Property
logPoct/wat 1.612 Crippen Calculated Property
McVol 107.260 ml/mol McGowan Calculated Property
Pc [3587.00; 3590.00] kPa Show Hide
Pc 3590.00 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 3587.00 kPa ChemSep v8.3 pure component data Compiled value
Ptriple 3.01e-04 kPa ChemSep v8.3 pure component data Compiled value
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
Ip [1633.00; 1660.00]   Show Hide
Ip 1633.00 NIST
Ip 1660.00 NIST
Tboil [468.00; 469.90] K Show Hide
Tboil 468.85 K ChemSep v8.3 pure component data Compiled value
Tboil 469.20 K NIST
Tboil Outlier 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 [685.70; 687.10] K Show Hide
Tc 685.70 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 687.10 K ChemSep v8.3 pure component data Compiled value
Tfus [243.15; 267.05] K Show Hide
Tfus 266.00 K Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
Tfus 243.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 251.30 K ChemSep v8.3 pure component data Compiled value
Tfus 267.05 K NIST
Ttriple 251.30 K ChemSep v8.3 pure component data Compiled value
UQi 3.85 ChemSep v8.3 pure component data Compiled value
URi 4.92 ChemSep v8.3 pure component data Compiled value
Vc [0.397; 0.406] m3/kmol Show Hide
Vc 0.397 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.406 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2550000 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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 Isothermal (vapour + liquid) equilibrium (VLE) for binary mixtures containing diethyl carbonate, phenyl acetate, diphenyl carbonate, or ethyl acetate
Pvap 18.20 kPa 413.20 Isothermal (vapour + liquid) equilibrium (VLE) for binary mixtures containing diethyl carbonate, phenyl acetate, diphenyl carbonate, or ethyl acetate
Pvap 66.10 kPa 453.20 Isothermal (vapour + liquid) equilibrium (VLE) for binary mixtures containing diethyl carbonate, phenyl acetate, diphenyl carbonate, or ethyl acetate
ρl [1073.00; 1073.30] kg/m3 [298.15; 298.20] Show Hide
ρl 1073.30 kg/m3 298.15 Revision of the volumetric method for measurements of liquid liquid equilibria in binary systems
ρl 1073.00 kg/m3 298.20 Investigation of Ternary Phase Diagrams of (Water + Butyric Acid + Phenyl Acetate) at Different Temperatures

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [132.19; 368.79] J/mol×K [255.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A7.43501e+01
Coefficient B-5.00000e+02
Coefficient C6.01842e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.255.00
Temperature range, max.1500.00
Cp,gas 132.19 J/mol×K 255.00 Calculated Property
Cp,gas 189.62 J/mol×K 393.33 Calculated Property
Cp,gas 234.80 J/mol×K 531.67 Calculated Property
Cp,gas 269.19 J/mol×K 670.00 Calculated Property
Cp,gas 295.73 J/mol×K 808.33 Calculated Property
Cp,gas 316.67 J/mol×K 946.67 Calculated Property
Cp,gas 333.55 J/mol×K 1085.00 Calculated Property
Cp,gas 347.41 J/mol×K 1223.33 Calculated Property
Cp,gas 358.99 J/mol×K 1361.67 Calculated Property
Cp,gas 368.79 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [219.98; 332.80] J/mol×K [251.30; 687.10] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,liquid in J/mol×K, T in K
Coefficient A1.82030e+02
Coefficient B1.11570e-01
Coefficient C1.56980e-04
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.251.30
Temperature range, max.687.10
Cp,liquid 219.98 J/mol×K 251.30 Calculated Property
Cp,liquid 229.57 J/mol×K 299.72 Calculated Property
Cp,liquid 239.90 J/mol×K 348.14 Calculated Property
Cp,liquid 250.96 J/mol×K 396.57 Calculated Property
Cp,liquid 262.76 J/mol×K 444.99 Calculated Property
Cp,liquid 275.30 J/mol×K 493.41 Calculated Property
Cp,liquid 288.57 J/mol×K 541.83 Calculated Property
Cp,liquid 302.58 J/mol×K 590.26 Calculated Property
Cp,liquid 317.32 J/mol×K 638.68 Calculated Property
Cp,liquid 332.80 J/mol×K 687.10 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0061705; 0.0004506] Pa×s [251.30; 468.85] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.67860e+01
Coefficient B1.71510e+03
Coefficient C8.81750e-01
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.251.30
Temperature range, max.468.85
η 0.0061705 Pa×s 251.30 Calculated Property
η 0.0036762 Pa×s 275.47 Calculated Property
η 0.0023960 Pa×s 299.64 Calculated Property
η 0.0016735 Pa×s 323.82 Calculated Property
η 0.0012343 Pa×s 347.99 Calculated Property
η 0.0009509 Pa×s 372.16 Calculated Property
η 0.0007588 Pa×s 396.33 Calculated Property
η 0.0006234 Pa×s 420.51 Calculated Property
η 0.0005247 Pa×s 444.68 Calculated Property
η 0.0004506 Pa×s 468.85 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [63.79; 0.00] kJ/mol [251.30; 687.10] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A7.71980e+01
Coefficient B3.11090e-01
Coefficient C3.91890e-01
Coefficient D-2.65060e-01
Coefficient E0.00000e+00
Critical temperature, Tc (K)6.87100e+02
Temperature range, min.251.30
Temperature range, max.687.10
ΔvapH 63.79 kJ/mol 251.30 Calculated Property
ΔvapH 60.28 kJ/mol 299.72 Calculated Property
ΔvapH 56.51 kJ/mol 348.14 Calculated Property
ΔvapH 52.45 kJ/mol 396.57 Calculated Property
ΔvapH 48.09 kJ/mol 444.99 Calculated Property
ΔvapH 43.35 kJ/mol 493.41 Calculated Property
ΔvapH 38.05 kJ/mol 541.83 Calculated Property
ΔvapH 31.83 kJ/mol 590.26 Calculated Property
ΔvapH 23.63 kJ/mol 638.68 Calculated Property
ΔvapH 0.00 kJ/mol 687.10 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [350.99; 496.64] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
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
Pvap [3.01e-04; 3589.35] kPa [251.30; 687.10] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A8.43882e+01
Coefficient B-1.00740e+04
Coefficient C-9.48310e+00
Coefficient D3.87040e-18
Coefficient E6.00000e+00
Temperature range, min.251.30
Temperature range, max.687.10
Pvap 3.01e-04 kPa 251.30 Calculated Property
Pvap 0.04 kPa 299.72 Calculated Property
Pvap 0.96 kPa 348.14 Calculated Property
Pvap 9.62 kPa 396.57 Calculated Property
Pvap 51.99 kPa 444.99 Calculated Property
Pvap 184.77 kPa 493.41 Calculated Property
Pvap 491.78 kPa 541.83 Calculated Property
Pvap 1072.01 kPa 590.26 Calculated Property
Pvap 2043.84 kPa 638.68 Calculated Property
Pvap 3589.35 kPa 687.10 Calculated Property
Pvap [0.13; 100.95] kPa [311.40; 469.10] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.61776e+01
Coefficient B-5.00743e+03
Coefficient C-3.60450e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.311.40
Temperature range, max.469.10
Pvap 0.13 kPa 311.40 Calculated Property
Pvap 0.40 kPa 328.92 Calculated Property
Pvap 1.05 kPa 346.44 Calculated Property
Pvap 2.48 kPa 363.97 Calculated Property
Pvap 5.38 kPa 381.49 Calculated Property
Pvap 10.82 kPa 399.01 Calculated Property
Pvap 20.43 kPa 416.53 Calculated Property
Pvap 36.47 kPa 434.06 Calculated Property
Pvap 61.99 kPa 451.58 Calculated Property
Pvap 100.95 kPa 469.10 Calculated Property
Property Value Unit Temperature (K) Source
ρl [1112.80; 335.23] kg/m3 [251.30; 687.10] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A8.54846e+01
Coefficient B2.55000e-01
Coefficient C6.87100e+02
Coefficient D2.85710e-01
Temperature range, min.251.30
Temperature range, max.687.10
ρl 1112.80 kg/m3 251.30 Calculated Property
ρl 1069.49 kg/m3 299.72 Calculated Property
ρl 1024.04 kg/m3 348.14 Calculated Property
ρl 975.93 kg/m3 396.57 Calculated Property
ρl 924.41 kg/m3 444.99 Calculated Property
ρl 868.27 kg/m3 493.41 Calculated Property
ρl 805.46 kg/m3 541.83 Calculated Property
ρl 731.81 kg/m3 590.26 Calculated Property
ρl 636.04 kg/m3 638.68 Calculated Property
ρl 335.23 kg/m3 687.10 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 0.00] N/m [251.30; 687.10] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is γ in N/m, T in K
Coefficient A7.87310e-02
Coefficient B1.61980e+00
Coefficient C-3.94050e-01
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)6.87100e+02
Temperature range, min.251.30
Temperature range, max.687.10
γ 0.04 N/m 251.30 Calculated Property
γ 0.03 N/m 299.72 Calculated Property
γ 0.03 N/m 348.14 Calculated Property
γ 0.02 N/m 396.57 Calculated Property
γ 0.02 N/m 444.99 Calculated Property
γ 0.01 N/m 493.41 Calculated Property
γ 0.01 N/m 541.83 Calculated Property
γ 0.01 N/m 590.26 Calculated Property
γ 0.00 N/m 638.68 Calculated Property
γ 0.00 N/m 687.10 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.02; 0.06] W/m×K [468.85; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A2.64470e-06
Coefficient B1.44500e+00
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Temperature range, min.468.85
Temperature range, max.1000.00
λgas 0.02 W/m×K 468.85 Calculated Property
λgas 0.02 W/m×K 527.87 Calculated Property
λgas 0.03 W/m×K 586.88 Calculated Property
λgas 0.03 W/m×K 645.90 Calculated Property
λgas 0.03 W/m×K 704.92 Calculated Property
λgas 0.04 W/m×K 763.93 Calculated Property
λgas 0.04 W/m×K 822.95 Calculated Property
λgas 0.05 W/m×K 881.97 Calculated Property
λgas 0.05 W/m×K 940.98 Calculated Property
λgas 0.06 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.14; 0.09] W/m×K [251.30; 468.85] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is λliquid in W/m×K, T in K
Coefficient A1.83710e-01
Coefficient B-1.90470e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.251.30
Temperature range, max.468.85
λliquid 0.14 W/m×K 251.30 Calculated Property
λliquid 0.13 W/m×K 275.47 Calculated Property
λliquid 0.13 W/m×K 299.64 Calculated Property
λliquid 0.12 W/m×K 323.82 Calculated Property
λliquid 0.12 W/m×K 347.99 Calculated Property
λliquid 0.11 W/m×K 372.16 Calculated Property
λliquid 0.11 W/m×K 396.33 Calculated Property
λliquid 0.10 W/m×K 420.51 Calculated Property
λliquid 0.10 W/m×K 444.68 Calculated Property
λliquid 0.09 W/m×K 468.85 Calculated Property

Similar Compounds

1,4-Benzenediol, diacetate. 1,3-Benzenediol, diacetate. Chloroacetic acid, 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.