- InChI
- InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
- InChI Key
- OKVJCVWFVRATSG-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- OCc1cccc(O)c1
- Molecular Weight1
- 124.14
- CAS
- 620-24-6
- Other Names
-
- 3-(Hydroxymethyl)-phenol
- 3-Hydroxybenzenemethanol
- 3-Hydroxybenzyl alcohol
- Benzyl alcohol, m-hydroxy-
- KSD 2405
- m-Hydroxybenzyl 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).
- Ip : 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 | 0.6840 | Relay (1.0) Calculated Property | |
| ΔfG° | -170.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.884 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Pc | 5756.64 | kPa | Joback Calculated Property |
| Ip | [2257.00; 2257.00] |
|
|
| Ip | 2257.00 | NIST | |
| Ip | 2257.00 | NIST | |
| Tboil | 532.48 | K | Relay (1.0) Calculated Property |
| Tc | 802.43 | K | Relay (1.0) Calculated Property |
| Tfus | 345.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.319 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [126.11; 303.03] | 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 | -4.10090e+01 | |||
| Coefficient B | 7.78500e-01 | |||
| Coefficient C | -6.74960e-04 | |||
| Coefficient D | 2.40500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 126.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 160.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 189.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 234.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 251.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 265.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 278.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 291.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 303.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0085121; 0.0000354] | Pa×s | [345.15; 540.46] |
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 | -1.99346e+01 | |||
| Coefficient B | 5.23535e+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. | 345.15 | |||
| Temperature range, max. | 540.46 | |||
| η | 0.0085121 | Pa×s | 345.15 | Calculated Property |
| η | 0.0034702 | Pa×s | 366.85 | Calculated Property |
| η | 0.0015639 | Pa×s | 388.55 | Calculated Property |
| η | 0.0007668 | Pa×s | 410.25 | Calculated Property |
| η | 0.0004039 | Pa×s | 431.95 | Calculated Property |
| η | 0.0002262 | Pa×s | 453.65 | Calculated Property |
| η | 0.0001336 | Pa×s | 475.35 | Calculated Property |
| η | 0.0000826 | Pa×s | 497.05 | Calculated Property |
| η | 0.0000531 | Pa×s | 518.76 | Calculated Property |
| η | 0.0000354 | Pa×s | 540.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, 3-hydroxy-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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