- InChI
- InChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3
- InChI Key
- ITWUGZSJDMBOPH-UHFFFAOYSA-N
- Formula
- C13H13NO
- SMILES
- Cc1ccc2[nH]c3c(c2c1)CCCC3=O
- Molecular Weight1
- 199.25
- CAS
- 3449-48-7
- Other Names
-
- 1-keto-1,2,3,4-tetrahydro-6-methylcarbazole
- 6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.5915 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -78.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.513 | Crippen Calculated Property | |
| McVol | 155.800 | ml/mol | McGowan Calculated Property |
| Pc | 3083.59 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 657.61 | K | Relay (1.0) Calculated Property |
| Tc | 932.92 | K | Relay (1.0) Calculated Property |
| Tfus | 468.45 | K | Solubility and Metastable Zone Width of 1-Keto-1,2,3,4-tetrahydro-6-methylcarbazole in Acetone |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 26.90 | kJ/mol | 468.50 | NIST |
Similar Compounds
Find more compounds similar to Carbazol-1(2H)-one, 3,4-dihydro-6-methyl-.
Mixtures
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
- Solubility and Metastable Zone Width of 1-Keto-1,2,3,4-tetrahydro-6-methylcarbazole in Acetone
- McGowan Method
- NIST Webbook
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