- InChI
- InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3
- InChI Key
- QPTQLFCBVFKFLY-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(=O)OCc1cccc(C)c1
- Molecular Weight1
- 164.20
- CAS
- 17369-57-2
- Other Names
-
- m-Methylbenzyl acetate
- Benzenemethanol, 3-methyl-, acetate
- Acetic acid, (3-methylphenyl)methyl ester
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -97.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 2.058 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Inp | [1283.00; 1283.00] |
|
|
| Inp | 1283.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Tboil | 536.15 | K | Joback Calculated Property |
| Tc | 749.95 | K | Joback Calculated Property |
| Tfus | 313.56 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.27; 369.52] | J/mol×K | [536.15; 749.95] |
|
| Cp,gas | 300.27 | J/mol×K | 536.15 | Joback Calculated Property |
| Cp,gas | 313.54 | J/mol×K | 571.78 | Joback Calculated Property |
| Cp,gas | 326.10 | J/mol×K | 607.42 | Joback Calculated Property |
| Cp,gas | 337.97 | J/mol×K | 643.05 | Joback Calculated Property |
| Cp,gas | 349.15 | J/mol×K | 678.68 | Joback Calculated Property |
| Cp,gas | 359.66 | J/mol×K | 714.31 | Joback Calculated Property |
| Cp,gas | 369.52 | J/mol×K | 749.95 | Joback Calculated Property |
| η | [0.0002099; 0.0017515] | Pa×s | [313.56; 536.15] |
|
| η | 0.0017515 | Pa×s | 313.56 | Joback Calculated Property |
| η | 0.0010200 | Pa×s | 350.66 | Joback Calculated Property |
| η | 0.0006587 | Pa×s | 387.76 | Joback Calculated Property |
| η | 0.0004592 | Pa×s | 424.86 | Joback Calculated Property |
| η | 0.0003392 | Pa×s | 461.95 | Joback Calculated Property |
| η | 0.0002621 | Pa×s | 499.05 | Joback Calculated Property |
| η | 0.0002099 | Pa×s | 536.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbenzyl acetate.
Sources
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