- InChI
- InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3
- InChI Key
- ONWPLBKWMAUFGZ-UHFFFAOYSA-N
- Formula
- C10H10O4
- SMILES
- COC(=O)c1ccccc1OC(C)=O
- Molecular Weight1
- 194.18
- CAS
- 580-02-9
- Other Names
-
- Benzoic acid, 2-(acetyloxy)-, methyl ester
- Salicylic acid acetate, methyl ester
- Methyl acetylsalicylate
- Methyl aspirin
- Methyl o-acetoxybenzoate
- Methyl rhodin
- Methyl O-acetylsalicylate
- Methylrhodine
- Acetylsalicylic acid methyl ester
- O-Acetyl methyl salicylate
- NSC 403847
- Salicylic acid, methyl ester, acetate
- Methyl salicylate, O-acetyl-
- Methyl 2-(acetyloxy)benzoate
- 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 | 0.6038 | Relay (1.0) Calculated Property | |
| ΔfG° | -331.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -621.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.398 | Crippen Calculated Property | |
| McVol | 142.880 | ml/mol | McGowan Calculated Property |
| Pc | 3191.93 | kPa | Joback Calculated Property |
| Inp | [1454.00; 1454.00] |
|
|
| Inp | 1454.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Tboil | 538.44 | K | Relay (1.0) Calculated Property |
| Tc | 744.82 | K | Relay (1.0) Calculated Property |
| Tfus | 279.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.80; 399.66] | J/mol×K | [612.44; 831.50] |
|
| Cp,gas | 338.80 | J/mol×K | 612.44 | Joback Calculated Property |
| Cp,gas | 350.71 | J/mol×K | 648.95 | Joback Calculated Property |
| Cp,gas | 361.93 | J/mol×K | 685.46 | Joback Calculated Property |
| Cp,gas | 372.43 | J/mol×K | 721.97 | Joback Calculated Property |
| Cp,gas | 382.23 | J/mol×K | 758.48 | Joback Calculated Property |
| Cp,gas | 391.31 | J/mol×K | 794.99 | Joback Calculated Property |
| Cp,gas | 399.66 | J/mol×K | 831.50 | Joback Calculated Property |
| η | [0.0001824; 0.0012091] | Pa×s | [385.72; 612.44] |
|
| η | 0.0012091 | Pa×s | 385.72 | Joback Calculated Property |
| η | 0.0007664 | Pa×s | 423.51 | Joback Calculated Property |
| η | 0.0005235 | Pa×s | 461.29 | Joback Calculated Property |
| η | 0.0003788 | Pa×s | 499.08 | Joback Calculated Property |
| η | 0.0002869 | Pa×s | 536.87 | Joback Calculated Property |
| η | 0.0002254 | Pa×s | 574.65 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 612.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aspirin methyl ester.
Sources
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