- InChI
- InChI=1S/C12H27NO3/c1-2-3-4-5-6-13-7-9-15-11-12-16-10-8-14/h13-14H,2-12H2,1H3
- InChI Key
- SZFMWHHMFMTAFY-UHFFFAOYSA-N
- Formula
- C12H27NO3
- SMILES
- CCCCCCNCCOCCOCCO
- Molecular Weight1
- 233.35
- 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° | -207.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.24 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.182 | Crippen Calculated Property | |
| McVol | 207.530 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Inp | [1703.00; 1703.00] |
|
|
| Inp | 1703.00 | NIST | |
| Inp | 1703.00 | NIST | |
| Tboil | 661.15 | K | Joback Calculated Property |
| Tc | 824.78 | K | Joback Calculated Property |
| Tfus | 382.94 | K | Joback Calculated Property |
| Vc | 0.797 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.37; 670.23] | J/mol×K | [661.15; 824.78] |
|
| Cp,gas | 592.37 | J/mol×K | 661.15 | Joback Calculated Property |
| Cp,gas | 606.81 | J/mol×K | 688.42 | Joback Calculated Property |
| Cp,gas | 620.66 | J/mol×K | 715.69 | Joback Calculated Property |
| Cp,gas | 633.92 | J/mol×K | 742.97 | Joback Calculated Property |
| Cp,gas | 646.60 | J/mol×K | 770.24 | Joback Calculated Property |
| Cp,gas | 658.70 | J/mol×K | 797.51 | Joback Calculated Property |
| Cp,gas | 670.23 | J/mol×K | 824.78 | Joback Calculated Property |
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)
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Sources
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