- InChI
- InChI=1S/C17H35NO2/c1-5-7-9-11-13-18(14-12-10-8-6-2)17(19)20-15-16(3)4/h16H,5-15H2,1-4H3
- InChI Key
- XPZRRQRGZPQIPJ-UHFFFAOYSA-N
- Formula
- C17H35NO2
- SMILES
- CCCCCCN(CCCCCC)C(=O)OCC(C)C
- Molecular Weight1
- 285.47
- 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° | -33.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 5.242 | Crippen Calculated Property | |
| McVol | 267.810 | ml/mol | McGowan Calculated Property |
| Pc | 1277.33 | kPa | Joback Calculated Property |
| Inp | 1863.00 | NIST | |
| Tboil | 676.65 | K | Joback Calculated Property |
| Tc | 845.94 | K | Joback Calculated Property |
| Tfus | 370.98 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [774.15; 874.60] | J/mol×K | [676.65; 845.94] | 
|
| Cp,gas | 774.15 | J/mol×K | 676.65 | Joback Calculated Property |
| Cp,gas | 792.97 | J/mol×K | 704.86 | Joback Calculated Property |
| Cp,gas | 810.93 | J/mol×K | 733.08 | Joback Calculated Property |
| Cp,gas | 828.05 | J/mol×K | 761.29 | Joback Calculated Property |
| Cp,gas | 844.35 | J/mol×K | 789.51 | Joback Calculated Property |
| Cp,gas | 859.86 | J/mol×K | 817.72 | Joback Calculated Property |
| Cp,gas | 874.60 | J/mol×K | 845.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylcarbamate, N,N-dihexyl.
Sources
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