- InChI
- InChI=1S/C13H27NO2/c1-3-5-7-8-9-10-12-16-13(15)14-11-6-4-2/h3-12H2,1-2H3,(H,14,15)
- InChI Key
- HXLACWYNPKKIMH-UHFFFAOYSA-N
- Formula
- C13H27NO2
- SMILES
- CCCCCCCCOC(=O)NCCCC
- Molecular Weight1
- 229.36
- 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° | -85.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.873 | Crippen Calculated Property | |
| McVol | 211.450 | ml/mol | McGowan Calculated Property |
| Pc | 1726.03 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1726.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 623.30 | K | Joback Calculated Property |
| Tc | 794.98 | K | Joback Calculated Property |
| Tfus | 361.09 | K | Joback Calculated Property |
| Vc | 0.823 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.38; 660.30] | J/mol×K | [623.30; 794.98] |
|
| Cp,gas | 573.38 | J/mol×K | 623.30 | Joback Calculated Property |
| Cp,gas | 589.56 | J/mol×K | 651.91 | Joback Calculated Property |
| Cp,gas | 605.06 | J/mol×K | 680.53 | Joback Calculated Property |
| Cp,gas | 619.86 | J/mol×K | 709.14 | Joback Calculated Property |
| Cp,gas | 634.00 | J/mol×K | 737.75 | Joback Calculated Property |
| Cp,gas | 647.47 | J/mol×K | 766.37 | Joback Calculated Property |
| Cp,gas | 660.30 | J/mol×K | 794.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, monoamide, N-butyl-, octyl ester.
Sources
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