- InChI
- InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3
- InChI Key
- XTBFPVLHGVYOQH-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- COC(=O)Oc1ccccc1
- Molecular Weight1
- 152.15
- CAS
- 13509-27-8
- Other Names
-
- Methyl phenyl carbonate
- Phenyl methyl carbonate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4724 | ChemSep v8.3 pure component data Compiled value | |
| ΔfG° | -311.53 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -448.28 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.832 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 3441.14 | kPa | ChemSep v8.3 pure component data Compiled value |
| Tboil | 491.76 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 704.87 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 242.15 | K | Solid-liquid equilibria and the physical properties of binary systems of diphenyl carbonate, dimethyl carbonate, methyl phenyl carbonate, anisole, methanol and phenol |
| UQi | 4.36 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.50 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.421 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2449610 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.24 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [1143.24; 1143.63] | kg/m3 | [298.15; 298.15] | 
|
| ρl | 1143.63 | kg/m3 | 298.15 | Isobaric vapor-liquid equilibrium at 101.3 kPa and excess properties at 298.15 K for binary mixtures of methyl phenyl carbonate with methanol or dimethyl carbonate |
| ρl | 1143.24 | kg/m3 | 298.15 | Liquid Liquid Equilibria for Ternary Mixtures of Methylphenyl Carbonate, Dimethyl Carbonate, Diphenyl Carbonate, Anisole, Methanol, Phenol, and Water at Several Temperatures |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.99; 391.26] | J/mol×K | [255.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 7.10996e+01 | |||
| Coefficient B | -5.00000e+02 | |||
| Coefficient C | 6.10215e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 133.99 | J/mol×K | 255.00 | Calculated Property |
| Cp,gas | 196.43 | J/mol×K | 393.33 | Calculated Property |
| Cp,gas | 245.56 | J/mol×K | 531.67 | Calculated Property |
| Cp,gas | 282.95 | J/mol×K | 670.00 | Calculated Property |
| Cp,gas | 311.81 | J/mol×K | 808.33 | Calculated Property |
| Cp,gas | 334.58 | J/mol×K | 946.67 | Calculated Property |
| Cp,gas | 352.94 | J/mol×K | 1085.00 | Calculated Property |
| Cp,gas | 368.01 | J/mol×K | 1223.33 | Calculated Property |
| Cp,gas | 380.60 | J/mol×K | 1361.67 | Calculated Property |
| Cp,gas | 391.26 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055072; 0.0001868] | Pa×s | [242.15; 493.41] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18461e+01 | |||
| Coefficient B | 1.60895e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 242.15 | |||
| Temperature range, max. | 493.41 | |||
| η | 0.0055072 | Pa×s | 242.15 | Calculated Property |
| η | 0.0027710 | Pa×s | 270.07 | Calculated Property |
| η | 0.0015857 | Pa×s | 297.99 | Calculated Property |
| η | 0.0009985 | Pa×s | 325.90 | Calculated Property |
| η | 0.0006764 | Pa×s | 353.82 | Calculated Property |
| η | 0.0004850 | Pa×s | 381.74 | Calculated Property |
| η | 0.0003639 | Pa×s | 409.66 | Calculated Property |
| η | 0.0002833 | Pa×s | 437.57 | Calculated Property |
| η | 0.0002272 | Pa×s | 465.49 | Calculated Property |
| η | 0.0001868 | Pa×s | 493.41 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [56.11; 0.31] | kJ/mol | [344.23; 704.87] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 7.23828e+01 | |||
| Coefficient B | 3.80000e-01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 7.04871e+02 | |||
| Temperature range, min. | 344.23 | |||
| Temperature range, max. | 704.87 | |||
| ΔvapH | 56.11 | kJ/mol | 344.23 | Calculated Property |
| ΔvapH | 53.65 | kJ/mol | 384.30 | Calculated Property |
| ΔvapH | 51.00 | kJ/mol | 424.37 | Calculated Property |
| ΔvapH | 48.10 | kJ/mol | 464.45 | Calculated Property |
| ΔvapH | 44.88 | kJ/mol | 504.52 | Calculated Property |
| ΔvapH | 41.23 | kJ/mol | 544.59 | Calculated Property |
| ΔvapH | 36.96 | kJ/mol | 584.66 | Calculated Property |
| ΔvapH | 31.68 | kJ/mol | 624.73 | Calculated Property |
| ΔvapH | 24.35 | kJ/mol | 664.80 | Calculated Property |
| ΔvapH | 0.31 | kJ/mol | 704.87 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [9.73e-03; 3323.23] | kPa | [273.00; 704.87] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61627e+01 | |||
| Coefficient B | -5.67701e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 704.87 | |||
| Pvap | 9.73e-03 | kPa | 273.00 | Calculated Property |
| Pvap | 0.22 | kPa | 320.99 | Calculated Property |
| Pvap | 2.17 | kPa | 368.97 | Calculated Property |
| Pvap | 12.77 | kPa | 416.96 | Calculated Property |
| Pvap | 52.07 | kPa | 464.94 | Calculated Property |
| Pvap | 163.17 | kPa | 512.93 | Calculated Property |
| Pvap | 420.59 | kPa | 560.91 | Calculated Property |
| Pvap | 933.81 | kPa | 608.90 | Calculated Property |
| Pvap | 1845.21 | kPa | 656.89 | Calculated Property |
| Pvap | 3323.23 | kPa | 704.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, methyl phenyl ester.
Mixtures
- Carbonic acid, dimethyl ester + Carbonic acid, methyl phenyl ester
- Carbonic acid, methyl phenyl ester + Methyl Alcohol
- Carbonic acid, methyl phenyl ester + Phenol
- Carbonic acid, methyl phenyl ester + Diphenyl carbonate
- Carbonic acid, methyl phenyl ester + Anisole + Water
- Carbonic acid, methyl phenyl ester + Methyl Alcohol + Water
- Carbonic acid, dimethyl ester + Carbonic acid, methyl phenyl ester + Water
- Carbonic acid, methyl phenyl ester + Phenol + Water
- Carbonic acid, methyl phenyl ester + Diphenyl carbonate + Water
Sources
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Isobaric vapor-liquid equilibrium at 101.3 kPa and excess properties at 298.15 K for binary mixtures of methyl phenyl carbonate with methanol or dimethyl carbonate
- Solid-liquid equilibria and the physical properties of binary systems of diphenyl carbonate, dimethyl carbonate, methyl phenyl carbonate, anisole, methanol and phenol
- Liquid Liquid Equilibria for Ternary Mixtures of Methylphenyl Carbonate, Dimethyl Carbonate, Diphenyl Carbonate, Anisole, Methanol, Phenol, and Water at Several Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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