- InChI
- InChI=1S/C7H7O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H2
- InChI Key
- RMAINTGPKFNBDP-UHFFFAOYSA-N
- Formula
- C7H7O
- SMILES
- [CH2]c1ccccc1O
- Molecular Weight1
- 107.13
- CAS
- 155174-21-3
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 | 0.5048 | Relay (1.0) Calculated Property | |
| PAff | 878.50 | kJ/mol | NIST |
| BasG | 846.00 | kJ/mol | NIST |
| ΔfG° | 18.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.574 | Crippen Calculated Property | |
| McVol | 89.450 | ml/mol | McGowan Calculated Property |
| Pc | 5359.18 | kPa | Joback Calculated Property |
| Tboil | 479.01 | K | Relay (1.0) Calculated Property |
| Tc | 702.48 | K | Relay (1.0) Calculated Property |
| Tfus | 286.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.291 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.09; 268.23] | 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 | -6.67090e+01 | |||
| Coefficient B | 8.47600e-01 | |||
| Coefficient C | -8.51960e-04 | |||
| Coefficient D | 3.39300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 168.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 190.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 207.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 221.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 233.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 245.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 256.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 268.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038840; 0.0001656] | Pa×s | [323.16; 484.51] |
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 | -1.50249e+01 | |||
| Coefficient B | 3.06163e+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. | 323.16 | |||
| Temperature range, max. | 484.51 | |||
| η | 0.0038840 | Pa×s | 323.16 | Calculated Property |
| η | 0.0023605 | Pa×s | 341.09 | Calculated Property |
| η | 0.0015078 | Pa×s | 359.02 | Calculated Property |
| η | 0.0010051 | Pa×s | 376.94 | Calculated Property |
| η | 0.0006951 | Pa×s | 394.87 | Calculated Property |
| η | 0.0004964 | Pa×s | 412.80 | Calculated Property |
| η | 0.0003645 | Pa×s | 430.73 | Calculated Property |
| η | 0.0002744 | Pa×s | 448.66 | Calculated Property |
| η | 0.0002111 | Pa×s | 466.59 | Calculated Property |
| η | 0.0001656 | Pa×s | 484.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-OH-benzyl.
Sources
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