- InChI
- InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
- InChI Key
- WHOOUMGHGSPMGR-UHFFFAOYSA-N
- Formula
- C10H9NO
- SMILES
- O=CCc1c[nH]c2ccccc12
- Molecular Weight1
- 159.18
- CAS
- 2591-98-2
- Other Names
-
- Tryptaldehyde
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 | 0.4960 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 13.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.427 | Crippen Calculated Property | |
| McVol | 124.390 | ml/mol | McGowan Calculated Property |
| Pc | 4422.84 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1713.20 | NIST | |
| Tboil | 591.12 | K | Relay (1.0) Calculated Property |
| Tc | 867.42 | K | Relay (1.0) Calculated Property |
| Tfus | 389.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Indole-3-acetaldehyde.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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