- InChI
- InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
- InChI Key
- WDCUPFMSLUIQBH-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(=O)OCc1ccc(C)cc1
- Molecular Weight1
- 164.20
- Other Names
-
- 4-Methylbenzyl acetate
- Benzenemethanol, 4-methyl-, acetate
- p-Tolubenzyl acetate
- p-Xylene, «alpha»-acetoxy
- p-Xylyl acetate
- Benzyl alcohol, p-methyl-, acetate
- 4-Methylbenzyl ethanoate
- Benzenemethanol, 4-methyl-, 1-acetate
- NSC 7001
- p-Acetoxymethyltoluene
- Acetic acid, (4-methylphenyl)methyl ester
- 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).
- 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.
- 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 | 0.5004 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.058 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 2899.85 | kPa | Joback Calculated Property |
| Inp | 1290.00 | NIST | |
| Tboil | 493.42 | K | Relay (1.0) Calculated Property |
| Tc | 709.36 | K | Relay (1.0) Calculated Property |
| Tfus | 253.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.27; 366.95] | J/mol×K | [518.28; 729.36] | 
|
| Cp,gas | 296.27 | J/mol×K | 518.28 | Joback Calculated Property |
| Cp,gas | 309.89 | J/mol×K | 553.46 | Joback Calculated Property |
| Cp,gas | 322.76 | J/mol×K | 588.64 | Joback Calculated Property |
| Cp,gas | 334.88 | J/mol×K | 623.82 | Joback Calculated Property |
| Cp,gas | 346.28 | J/mol×K | 659.00 | Joback Calculated Property |
| Cp,gas | 356.96 | J/mol×K | 694.18 | Joback Calculated Property |
| Cp,gas | 366.95 | J/mol×K | 729.36 | Joback Calculated Property |
| η | [0.0001927; 0.0025685] | Pa×s | [283.73; 518.28] |
|
| η | 0.0025685 | Pa×s | 283.73 | Joback Calculated Property |
| η | 0.0012844 | Pa×s | 322.82 | Joback Calculated Property |
| η | 0.0007460 | Pa×s | 361.91 | Joback Calculated Property |
| η | 0.0004817 | Pa×s | 401.00 | Joback Calculated Property |
| η | 0.0003361 | Pa×s | 440.10 | Joback Calculated Property |
| η | 0.0002488 | Pa×s | 479.19 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 518.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-METHYLBENZYL ACETATE.
Sources
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