- InChI
- InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
- InChI Key
- QSLMDECMDJKHMQ-UHFFFAOYSA-N
- Formula
- C20H23N
- SMILES
-
CNCCCC12CCC(c3ccccc31)c1ccccc1
2 - Molecular Weight1
- 277.40
- CAS
- 10262-69-8
- Other Names
-
- 9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-
- 9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-
- 276-Ba
- 3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)propylmethylamine
- Ludiomil
- Maprotylina
- N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine
- 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.
- 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 | 0.5944 | Relay (1.0) Calculated Property | |
| ΔfG° | 552.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 168.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.211 | Crippen Calculated Property | |
| McVol | 233.400 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | [2296.00; 2403.20] |
|
|
| Inp | 2331.00 | NIST | |
| Inp | 2381.00 | NIST | |
| Inp | Outlier 2403.20 | NIST | |
| Inp | 2341.00 | NIST | |
| Inp | 2315.00 | NIST | |
| Inp | 2315.00 | NIST | |
| Inp | 2296.00 | NIST | |
| Inp | 2325.00 | NIST | |
| Inp | 2299.00 | NIST | |
| Inp | 2356.00 | NIST | |
| Inp | 2356.00 | NIST | |
| Tboil | 667.98 | K | Relay (1.0) Calculated Property |
| Tc | 957.06 | K | Relay (1.0) Calculated Property |
| Tfus | 418.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.91; 813.64] | J/mol×K | [775.67; 1011.20] |
|
| Cp,gas | 703.91 | J/mol×K | 775.67 | Joback Calculated Property |
| Cp,gas | 722.50 | J/mol×K | 814.93 | Joback Calculated Property |
| Cp,gas | 740.58 | J/mol×K | 854.18 | Joback Calculated Property |
| Cp,gas | 758.45 | J/mol×K | 893.44 | Joback Calculated Property |
| Cp,gas | 776.39 | J/mol×K | 932.69 | Joback Calculated Property |
| Cp,gas | 794.69 | J/mol×K | 971.95 | Joback Calculated Property |
| Cp,gas | 813.64 | J/mol×K | 1011.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Maprotiline.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.