- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7342 | Relay (1.0) Calculated Property | |
| ΔfG° | -309.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.836 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| I | [1780.00; 1780.00] |
|
|
| I | 1780.00 | NIST | |
| I | 1780.00 | NIST | |
| Tboil | 561.92 | K | Relay (1.0) Calculated Property |
| Tc | 777.64 | K | Relay (1.0) Calculated Property |
| Tfus | 288.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.50; 355.80] | J/mol×K | [582.60; 781.58] |
|
| Cp,gas | 301.50 | J/mol×K | 582.60 | Joback Calculated Property |
| Cp,gas | 312.13 | J/mol×K | 615.76 | Joback Calculated Property |
| Cp,gas | 322.10 | J/mol×K | 648.93 | Joback Calculated Property |
| Cp,gas | 331.43 | J/mol×K | 682.09 | Joback Calculated Property |
| Cp,gas | 340.15 | J/mol×K | 715.26 | Joback Calculated Property |
| Cp,gas | 348.27 | J/mol×K | 748.42 | Joback Calculated Property |
| Cp,gas | 355.80 | J/mol×K | 781.58 | Joback Calculated Property |
| η | [0.0000793; 0.0080831] | Pa×s | [320.76; 582.60] |
|
| η | 0.0080831 | Pa×s | 320.76 | Joback Calculated Property |
| η | 0.0023572 | Pa×s | 364.40 | Joback Calculated Property |
| η | 0.0008947 | Pa×s | 408.04 | Joback Calculated Property |
| η | 0.0004095 | Pa×s | 451.68 | Joback Calculated Property |
| η | 0.0002151 | Pa×s | 495.32 | Joback Calculated Property |
| η | 0.0001254 | Pa×s | 538.96 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 582.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Ethanediol, monobenzoate.
Sources
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