- InChI
- InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
- InChI Key
- CDJJKTLOZJAGIZ-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- CC(=O)Oc1ccc(C)cc1
- Molecular Weight1
- 150.17
- CAS
- 140-39-6
- Other Names
-
- Acetic acid, p-tolyl ester
- p-Acetoxytoluene
- p-Cresol acetate
- p-Cresyl acetate
- p-Methylphenyl acetate
- p-Tolyl acetate
- p-Tolyl ethanoate
- Narceol
- 4-Acetoxytoluene
- 4-Methylphenyl acetate
- Cresyl acetate
- 4-Tolyl acetate
- Paracresyl acetate
- p-Cresylic acetate
- NSC 43244
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4948 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.84; 8.60] | eV |
|
| IE | 7.84 ± 0.02 | eV | NIST |
| IE | 8.60 ± 0.20 | eV | NIST |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.920 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Inp | [1135.90; 1171.40] |
|
|
| Inp | 1142.00 | NIST | |
| Inp | 1142.40 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1135.90 | NIST | |
| Inp | 1136.50 | NIST | |
| Inp | Outlier 1171.40 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1146.00 | NIST | |
| I | [1670.00; 1741.00] |
|
|
| I | 1741.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1722.30 | NIST | |
| I | 1722.90 | NIST | |
| I | 1684.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1741.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1670.00 | NIST | |
| Tboil | [483.70; 485.70] | K |
|
| Tboil | 483.70 | K | NIST |
| Tboil | 485.70 | K | NIST |
| Tc | 699.44 | K | Relay (1.0) Calculated Property |
| Tfus | 273.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.75; 318.12] | J/mol×K | [495.40; 709.82] |
|
| Cp,gas | 252.75 | J/mol×K | 495.40 | Joback Calculated Property |
| Cp,gas | 265.35 | J/mol×K | 531.14 | Joback Calculated Property |
| Cp,gas | 277.25 | J/mol×K | 566.87 | Joback Calculated Property |
| Cp,gas | 288.47 | J/mol×K | 602.61 | Joback Calculated Property |
| Cp,gas | 299.01 | J/mol×K | 638.35 | Joback Calculated Property |
| Cp,gas | 308.89 | J/mol×K | 674.09 | Joback Calculated Property |
| Cp,gas | 318.12 | J/mol×K | 709.82 | Joback Calculated Property |
| η | [0.0002055; 0.0025707] | Pa×s | [272.46; 495.40] |
|
| η | 0.0025707 | Pa×s | 272.46 | Joback Calculated Property |
| η | 0.0013105 | Pa×s | 309.62 | Joback Calculated Property |
| η | 0.0007718 | Pa×s | 346.77 | Joback Calculated Property |
| η | 0.0005036 | Pa×s | 383.93 | Joback Calculated Property |
| η | 0.0003543 | Pa×s | 421.09 | Joback Calculated Property |
| η | 0.0002639 | Pa×s | 458.24 | Joback Calculated Property |
| η | 0.0002055 | Pa×s | 495.40 | Joback Calculated Property |
| ΔvapH | 55.90 | kJ/mol | 432.50 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, 4-methylphenyl ester.
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