- InChI
- InChI=1S/C18H27N/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11,19H2
- InChI Key
- YTDHOCZRXNHNKS-UHFFFAOYSA-N
- Formula
- C18H27N
- SMILES
- Nc1c(C2CCCCC2)cccc1C1CCCCC1
- Molecular Weight1
- 257.41
- CAS
- 112121-78-5
- 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° | 309.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 5.364 | Crippen Calculated Property | |
| McVol | 228.980 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Tboil | 759.51 | K | Joback Calculated Property |
| Tc | 1018.26 | K | Joback Calculated Property |
| Tfus | 442.10 | K | Joback Calculated Property |
| Vc | 0.831 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.59; 835.42] | J/mol×K | [759.51; 1018.26] | 
|
| Cp,gas | 721.59 | J/mol×K | 759.51 | Joback Calculated Property |
| Cp,gas | 745.38 | J/mol×K | 802.63 | Joback Calculated Property |
| Cp,gas | 767.11 | J/mol×K | 845.76 | Joback Calculated Property |
| Cp,gas | 786.88 | J/mol×K | 888.88 | Joback Calculated Property |
| Cp,gas | 804.79 | J/mol×K | 932.01 | Joback Calculated Property |
| Cp,gas | 820.93 | J/mol×K | 975.13 | Joback Calculated Property |
| Cp,gas | 835.42 | J/mol×K | 1018.26 | Joback Calculated Property |
Similar Compounds
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Sources
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