- InChI
- InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3
- InChI Key
- GNRXCIONJWKSEA-UHFFFAOYSA-N
- Formula
- C18H19N
- SMILES
- CNCC12CCC(c3ccccc31)c1ccccc12
- Molecular Weight1
- 249.35
- CAS
- 17243-39-9
- Other Names
-
- Benzoctamine
- Benzoktamina
- Tacitin
- N-Methyl-9,10-ethanoanthracene-9(10H)-methylamine
- N-Methyl-9,10-ethanoantrhacene-9(10H)-methylamine
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 535.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 261.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.431 | Crippen Calculated Property | |
| McVol | 205.220 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | [2082.00; 2082.00] |
|
|
| Inp | 2082.00 | NIST | |
| Inp | 2082.00 | NIST | |
| Inp | 2082.00 | NIST | |
| Tboil | 729.91 | K | Joback Calculated Property |
| Tc | 974.79 | K | Joback Calculated Property |
| Tfus | 489.98 | K | Joback Calculated Property |
| Vc | 0.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.07; 693.98] | J/mol×K | [729.91; 974.79] |
|
| Cp,gas | 593.07 | J/mol×K | 729.91 | Joback Calculated Property |
| Cp,gas | 610.63 | J/mol×K | 770.72 | Joback Calculated Property |
| Cp,gas | 627.48 | J/mol×K | 811.54 | Joback Calculated Property |
| Cp,gas | 643.92 | J/mol×K | 852.35 | Joback Calculated Property |
| Cp,gas | 660.28 | J/mol×K | 893.16 | Joback Calculated Property |
| Cp,gas | 676.86 | J/mol×K | 933.97 | Joback Calculated Property |
| Cp,gas | 693.98 | J/mol×K | 974.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Ethanoanthracene-9(10H)-methylamine, N-methyl-, 9,10-dihydro.
Sources
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