- InChI
- InChI=1S/C21H31NO2/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3
- InChI Key
- BDNMABJZSXTKAQ-UHFFFAOYSA-N
- Formula
- C21H31NO2
- SMILES
-
CCN(CC)CCCOC(=O)C1(c2ccccc2)CC
2CCC1C2 - Molecular Weight1
- 329.48
- CAS
- 20448-86-6
- 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 | 0.6772 | Relay (1.0) Calculated Property | |
| ΔfG° | 211.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.020 | Crippen Calculated Property | |
| McVol | 278.690 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | [2255.00; 2255.00] |
|
|
| Inp | 2255.00 | NIST | |
| Inp | 2255.00 | NIST | |
| Tboil | 648.94 | K | Relay (1.0) Calculated Property |
| Tc | 889.70 | K | Relay (1.0) Calculated Property |
| Tfus | 366.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.008 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [899.51; 1017.65] | J/mol×K | [808.61; 1023.76] |
|
| Cp,gas | 899.51 | J/mol×K | 808.61 | Joback Calculated Property |
| Cp,gas | 920.44 | J/mol×K | 844.47 | Joback Calculated Property |
| Cp,gas | 940.63 | J/mol×K | 880.33 | Joback Calculated Property |
| Cp,gas | 960.26 | J/mol×K | 916.18 | Joback Calculated Property |
| Cp,gas | 979.51 | J/mol×K | 952.04 | Joback Calculated Property |
| Cp,gas | 998.58 | J/mol×K | 987.90 | Joback Calculated Property |
| Cp,gas | 1017.65 | J/mol×K | 1023.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bornaprine.
Sources
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