- InChI
- InChI=1S/C9H17N/c1-7-6-10-9-5-3-2-4-8(7)9/h7-10H,2-6H2,1H3
- InChI Key
- ZCJGZUQXRFHPQL-UHFFFAOYSA-N
- Formula
- C9H17N
- SMILES
- CC1CNC2CCCCC12
- Molecular Weight1
- 139.24
- CAS
- 37865-94-4
- Other Names
-
- 3-Methyloctahydro-1H-indole
- 3-Methyl-octahydroindole
- Skatole, perhydro-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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 | 0.3269 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.785 | Crippen Calculated Property | |
| McVol | 125.930 | ml/mol | McGowan Calculated Property |
| Pc | 3246.73 | kPa | Joback Calculated Property |
| Inp | [1217.00; 1235.00] |
|
|
| Inp | 1217.00 | NIST | |
| Inp | 1235.00 | NIST | |
| I | [1415.00; 1425.00] |
|
|
| I | 1415.00 | NIST | |
| I | 1425.00 | NIST | |
| Tboil | 468.03 | K | Relay (1.0) Calculated Property |
| Tc | 692.65 | K | Relay (1.0) Calculated Property |
| Tfus | 336.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.18; 395.75] | J/mol×K | [475.49; 698.44] |
|
| Cp,gas | 289.18 | J/mol×K | 475.49 | Joback Calculated Property |
| Cp,gas | 309.76 | J/mol×K | 512.65 | Joback Calculated Property |
| Cp,gas | 329.16 | J/mol×K | 549.81 | Joback Calculated Property |
| Cp,gas | 347.41 | J/mol×K | 586.96 | Joback Calculated Property |
| Cp,gas | 364.56 | J/mol×K | 624.12 | Joback Calculated Property |
| Cp,gas | 380.66 | J/mol×K | 661.28 | Joback Calculated Property |
| Cp,gas | 395.75 | J/mol×K | 698.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, octahydro-3-methyl-.
Sources
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