- InChI
- InChI=1S/C21H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h23H,2-22H2,1H3
- InChI Key
- DXYUWQFEDOQSQY-UHFFFAOYSA-N
- Formula
- C21H46N2
- SMILES
- CCCCCCCCCCCCCCCCCCNCCCN
- Molecular Weight1
- 326.60
- CAS
- 4253-76-3
- Other Names
-
- 1,3-Propanediamine, N-octadecyl-
- N-octadecylpropane-1,3-diamine
- 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° | 281.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.42 | kJ/mol | Joback Calculated Property |
| log10WS | -7.24 | Crippen Calculated Property | |
| logPoct/wat | 6.186 | Crippen Calculated Property | |
| McVol | 326.710 | ml/mol | McGowan Calculated Property |
| Pc | 998.91 | kPa | Joback Calculated Property |
| Tboil | 802.58 | K | Joback Calculated Property |
| Tc | 984.20 | K | Joback Calculated Property |
| Tfus | 462.35 | K | Joback Calculated Property |
| Vc | 1.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.86; 1167.65] | J/mol×K | [802.58; 984.20] | 
|
| Cp,gas | 1058.86 | J/mol×K | 802.58 | Joback Calculated Property |
| Cp,gas | 1079.41 | J/mol×K | 832.85 | Joback Calculated Property |
| Cp,gas | 1098.94 | J/mol×K | 863.12 | Joback Calculated Property |
| Cp,gas | 1117.48 | J/mol×K | 893.39 | Joback Calculated Property |
| Cp,gas | 1135.09 | J/mol×K | 923.66 | Joback Calculated Property |
| Cp,gas | 1151.80 | J/mol×K | 953.93 | Joback Calculated Property |
| Cp,gas | 1167.65 | J/mol×K | 984.20 | Joback Calculated Property |
Similar Compounds
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Sources
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