- InChI
- InChI=1S/C9H10O3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
- InChI Key
- LSWRBVSEWBWTDR-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- O=C(OCCO)c1ccccc1
- Molecular Weight1
- 166.17
- CAS
- 94-33-7
- Other Names
-
- «beta»-Hydroxyethyl benzoate
- Ethylene glycol monobenzoate
- 2-(Benzoyloxy)ethanol
- 2-Hydroxyethyl benzoate
- Benzoic acid, 2-hydroxyethyl 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).
- I : 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° | -233.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.74 | kJ/mol | Joback Calculated Property |
| log10WS | -1.40 | Crippen Calculated Property | |
| logPoct/wat | 0.836 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3843.54 | kPa | Joback Calculated Property |
| I | [1780.00; 1780.00] |
|
|
| I | 1780.00 | NIST | |
| I | 1780.00 | NIST | |
| Tboil | 600.47 | K | Joback Calculated Property |
| Tc | 801.75 | K | Joback Calculated Property |
| Tfus | 350.59 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.10; 357.45] | J/mol×K | [600.47; 801.75] |
|
| Cp,gas | 304.10 | J/mol×K | 600.47 | Joback Calculated Property |
| Cp,gas | 314.46 | J/mol×K | 634.02 | Joback Calculated Property |
| Cp,gas | 324.21 | J/mol×K | 667.56 | Joback Calculated Property |
| Cp,gas | 333.37 | J/mol×K | 701.11 | Joback Calculated Property |
| Cp,gas | 341.95 | J/mol×K | 734.66 | Joback Calculated Property |
| Cp,gas | 349.97 | J/mol×K | 768.21 | Joback Calculated Property |
| Cp,gas | 357.45 | J/mol×K | 801.75 | Joback Calculated Property |
| η | [0.0000813; 0.0039872] | Pa×s | [350.59; 600.47] |
|
| η | 0.0039872 | Pa×s | 350.59 | Joback Calculated Property |
| η | 0.0014770 | Pa×s | 392.24 | Joback Calculated Property |
| η | 0.0006620 | Pa×s | 433.88 | Joback Calculated Property |
| η | 0.0003415 | Pa×s | 475.53 | Joback Calculated Property |
| η | 0.0001960 | Pa×s | 517.18 | Joback Calculated Property |
| η | 0.0001222 | Pa×s | 558.82 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 600.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Ethanediol, monobenzoate.
Sources
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