- InChI
- InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
- InChI Key
- AMQIPHZFLIDOCB-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- OCCc1cccc(O)c1
- Molecular Weight1
- 138.16
- CAS
- 13398-94-2
- Other Names
-
- Phenethyl alcohol, m-hydroxy-
- m-Hydroxyphenethyl alcohol
- m-Phenethyl alcohol
- 3-(2-Hydroxyethyl)phenol
- 3-Hydroxybenzeneethanol
- 3-hydroxyphenethyl alcohol
- 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.
- Ip : 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 | 0.7294 | Relay (1.0) Calculated Property | |
| ΔfG° | -162.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.927 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 5001.51 | kPa | Joback Calculated Property |
| Inp | 1384.00 | NIST | |
| Ip | [2318.00; 2415.00] |
|
|
| Ip | 2318.00 | NIST | |
| Ip | 2415.00 | NIST | |
| Ip | 2318.00 | NIST | |
| Tboil | 563.37 | K | Relay (1.0) Calculated Property |
| Tc | 816.92 | K | Relay (1.0) Calculated Property |
| Tfus | 323.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.370 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 443.70 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.32; 354.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.19180e+01 | |||
| Coefficient B | 8.73500e-01 | |||
| Coefficient C | -7.29360e-04 | |||
| Coefficient D | 2.52400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 187.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 220.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 249.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 273.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 310.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 326.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 340.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 354.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025798; 0.0000302] | Pa×s | [378.88; 554.05] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -2.00265e+01 | |||
| Coefficient B | 5.32951e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 378.88 | |||
| Temperature range, max. | 554.05 | |||
| η | 0.0025798 | Pa×s | 378.88 | Calculated Property |
| η | 0.0012975 | Pa×s | 398.34 | Calculated Property |
| η | 0.0006957 | Pa×s | 417.81 | Calculated Property |
| η | 0.0003943 | Pa×s | 437.27 | Calculated Property |
| η | 0.0002346 | Pa×s | 456.73 | Calculated Property |
| η | 0.0001456 | Pa×s | 476.20 | Calculated Property |
| η | 0.0000938 | Pa×s | 495.66 | Calculated Property |
| η | 0.0000625 | Pa×s | 515.12 | Calculated Property |
| η | 0.0000429 | Pa×s | 534.58 | Calculated Property |
| η | 0.0000302 | Pa×s | 554.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanol, 3-hydroxy-.
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