- InChI
- InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
- InChI Key
- HFNGYHHRRMSKEU-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COc1ccc(COC(C)=O)cc1
- Molecular Weight1
- 180.20
- CAS
- 104-21-2
- Other Names
-
- Benzyl alcohol, p-methoxy-, acetate
- p-Methoxybenzyl acetate
- p-Methoxybenzyl alcohol acetate
- Cassie ketone
- 4-Methoxybenzyl acetate
- p-Anisyl acetate
- Acetic acid p-methoxybenzyl ester
- 4-Anisyl acetate
- Benzenemethanol, 4-methoxy-, 1-acetate
- NSC 46102
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5684 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.758 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Tboil | 526.88 | K | Relay (1.0) Calculated Property |
| Tc | 725.10 | K | Relay (1.0) Calculated Property |
| Tfus | 273.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.98; 392.43] | J/mol×K | [558.57; 770.06] | 
|
| Cp,gas | 323.98 | J/mol×K | 558.57 | Joback Calculated Property |
| Cp,gas | 337.02 | J/mol×K | 593.82 | Joback Calculated Property |
| Cp,gas | 349.42 | J/mol×K | 629.07 | Joback Calculated Property |
| Cp,gas | 361.16 | J/mol×K | 664.31 | Joback Calculated Property |
| Cp,gas | 372.24 | J/mol×K | 699.56 | Joback Calculated Property |
| Cp,gas | 382.66 | J/mol×K | 734.81 | Joback Calculated Property |
| Cp,gas | 392.43 | J/mol×K | 770.06 | Joback Calculated Property |
| η | [0.0001728; 0.0013400] | Pa×s | [335.79; 558.57] |
|
| η | 0.0013400 | Pa×s | 335.79 | Joback Calculated Property |
| η | 0.0008036 | Pa×s | 372.92 | Joback Calculated Property |
| η | 0.0005287 | Pa×s | 410.05 | Joback Calculated Property |
| η | 0.0003728 | Pa×s | 447.18 | Joback Calculated Property |
| η | 0.0002774 | Pa×s | 484.31 | Joback Calculated Property |
| η | 0.0002153 | Pa×s | 521.44 | Joback Calculated Property |
| η | 0.0001728 | Pa×s | 558.57 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 410.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, 4-methoxy-, acetate.
Sources
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