- InChI
- InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
- InChI Key
- XGDZEDRBLVIUMX-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COC(=O)Cc1ccc(O)cc1
- Molecular Weight1
- 166.17
- CAS
- 14199-15-6
- Other Names
-
- Acetic acid, (p-hydroxyphenyl)-, methyl ester
- Methyl (p-hydroxyphenyl)acetate
- Methyl (4-hydroxyphenyl)acetate
- 4-Hydroxyphenylacetic acid methyl ester
- p-Hydroxyphenylacetic acid 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).
- 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 | 0.6221 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.108 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | [1446.00; 1460.00] |
|
|
| Inp | 1460.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Tboil | 550.75 | K | Relay (1.0) Calculated Property |
| Tc | 762.90 | K | Relay (1.0) Calculated Property |
| Tfus | 333.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.03; 361.35] | J/mol×K | [588.91; 816.64] |
|
| Cp,gas | 304.03 | J/mol×K | 588.91 | Joback Calculated Property |
| Cp,gas | 315.28 | J/mol×K | 626.86 | Joback Calculated Property |
| Cp,gas | 325.77 | J/mol×K | 664.82 | Joback Calculated Property |
| Cp,gas | 335.56 | J/mol×K | 702.77 | Joback Calculated Property |
| Cp,gas | 344.71 | J/mol×K | 740.73 | Joback Calculated Property |
| Cp,gas | 353.29 | J/mol×K | 778.68 | Joback Calculated Property |
| Cp,gas | 361.35 | J/mol×K | 816.64 | Joback Calculated Property |
| η | [0.0000400; 0.0010100] | Pa×s | [401.49; 588.91] |
|
| η | 0.0010100 | Pa×s | 401.49 | Joback Calculated Property |
| η | 0.0004856 | Pa×s | 432.73 | Joback Calculated Property |
| η | 0.0002577 | Pa×s | 463.96 | Joback Calculated Property |
| η | 0.0001481 | Pa×s | 495.20 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 526.44 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 557.67 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 588.91 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 435.70 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-hydroxy-, methyl ester.
Sources
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