- InChI
- InChI=1S/C24H27NO4/c1-15(26)25(3)12-4-10-24-11-9-19(20-7-5-17(28)13-22(20)24)21-8-6-18(14-23(21)24)29-16(2)27/h5-8,13-14,19,28H,4,9-12H2,1-3H3
- InChI Key
- DFNVBHIKRFICNK-UHFFFAOYSA-N
- Formula
- C24H27NO4
- SMILES
-
CC(=O)Oc1ccc2c(c1)C1(CCCN(C)C(
C)=O)CCC2c2ccc(O)cc21 - Molecular Weight1
- 393.48
- 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° | 80.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.101 | Crippen Calculated Property | |
| McVol | 304.640 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Inp | [2820.00; 2820.00] |
|
|
| Inp | 2820.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Tboil | 1045.22 | K | Joback Calculated Property |
| Tc | 1289.34 | K | Joback Calculated Property |
| Tfus | 783.74 | K | Joback Calculated Property |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.24; 1243.71] | J/mol×K | [1045.22; 1289.34] |
|
| Cp,gas | 1058.24 | J/mol×K | 1045.22 | Joback Calculated Property |
| Cp,gas | 1083.65 | J/mol×K | 1085.91 | Joback Calculated Property |
| Cp,gas | 1110.77 | J/mol×K | 1126.59 | Joback Calculated Property |
| Cp,gas | 1139.97 | J/mol×K | 1167.28 | Joback Calculated Property |
| Cp,gas | 1171.62 | J/mol×K | 1207.97 | Joback Calculated Property |
| Cp,gas | 1206.08 | J/mol×K | 1248.66 | Joback Calculated Property |
| Cp,gas | 1243.71 | J/mol×K | 1289.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Maprotiline M(di-HO), diacetylated.
Sources
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