- InChI
- InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
- InChI Key
- KMGCKSAIIHOKCX-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- OC1Cc2ccccc2C1
- Molecular Weight1
- 134.18
- CAS
- 4254-29-9
- Other Names
-
- 1H-Inden-2-ol, 2,3-dihydro-
- 2-Hydroxyhydrindene
- indan-2-ol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -113.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | NIST |
| logPoct/wat | 1.146 | Crippen Calculated Property | |
| McVol | 108.920 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Tboil | 519.91 | K | Relay (1.0) Calculated Property |
| Tc | 755.24 | K | Relay (1.0) Calculated Property |
| Tfus | [343.00; 343.15] | K |
|
| Tfus | 343.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 343.00 ± 2.00 | K | NIST |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.76; 360.49] | 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 | -6.98500e+01 | |||
| Coefficient B | 9.05300e-01 | |||
| Coefficient C | -6.80560e-04 | |||
| Coefficient D | 2.05600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 174.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 244.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 271.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 294.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 314.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 331.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 346.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 360.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028595; 0.0002729] | Pa×s | [343.07; 522.87] |
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 | -1.26888e+01 | |||
| Coefficient B | 2.34379e+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. | 343.07 | |||
| Temperature range, max. | 522.87 | |||
| η | 0.0028595 | Pa×s | 343.07 | Calculated Property |
| η | 0.0019635 | Pa×s | 363.05 | Calculated Property |
| η | 0.0014021 | Pa×s | 383.03 | Calculated Property |
| η | 0.0010353 | Pa×s | 403.01 | Calculated Property |
| η | 0.0007866 | Pa×s | 422.99 | Calculated Property |
| η | 0.0006127 | Pa×s | 442.96 | Calculated Property |
| η | 0.0004876 | Pa×s | 462.94 | Calculated Property |
| η | 0.0003955 | Pa×s | 482.92 | Calculated Property |
| η | 0.0003261 | Pa×s | 502.90 | Calculated Property |
| η | 0.0002729 | Pa×s | 522.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Indanol.
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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