- InChI
- InChI=1S/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)23-19-18-20-24(22-23)27(29)30/h18-20,22H,2-17,21H2,1H3,(H,26,28)
- InChI Key
- MBGMGVISROGRGY-UHFFFAOYSA-N
- Formula
- C25H42N2O3
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=O)c1cccc
([N+](=O)[O-])c1 - Molecular Weight1
- 418.61
- CAS
- 109799-65-7
- 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).
- 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° | 258.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.95 | kJ/mol | Joback Calculated Property |
| log10WS | -9.58 | Crippen Calculated Property | |
| logPoct/wat | 7.586 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 968.07 | kPa | Joback Calculated Property |
| Tboil | 1058.94 | K | Joback Calculated Property |
| Tc | 1297.47 | K | Joback Calculated Property |
| Tfus | 656.65 | K | Joback Calculated Property |
| Vc | 1.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1287.24; 1372.23] | J/mol×K | [1058.94; 1297.47] | 
|
| Cp,gas | 1287.24 | J/mol×K | 1058.94 | Joback Calculated Property |
| Cp,gas | 1304.13 | J/mol×K | 1098.70 | Joback Calculated Property |
| Cp,gas | 1319.77 | J/mol×K | 1138.45 | Joback Calculated Property |
| Cp,gas | 1334.28 | J/mol×K | 1178.21 | Joback Calculated Property |
| Cp,gas | 1347.79 | J/mol×K | 1217.96 | Joback Calculated Property |
| Cp,gas | 1360.40 | J/mol×K | 1257.72 | Joback Calculated Property |
| Cp,gas | 1372.23 | J/mol×K | 1297.47 | Joback Calculated Property |
Similar Compounds
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Sources
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