- InChI
- InChI=1S/C13H27NO2/c1-5-7-9-14(10-8-6-2)13(15)16-11-12(3)4/h12H,5-11H2,1-4H3
- InChI Key
- BAGZNMSPKRGKFK-UHFFFAOYSA-N
- Formula
- C13H27NO2
- SMILES
- CCCCN(CCCC)C(=O)OCC(C)C
- Molecular Weight1
- 229.36
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7216 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.681 | Crippen Calculated Property | |
| McVol | 211.450 | ml/mol | McGowan Calculated Property |
| Pc | 1716.03 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 542.18 | K | Relay (1.0) Calculated Property |
| Tc | 697.39 | K | Relay (1.0) Calculated Property |
| Tfus | 224.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.18; 644.82] | J/mol×K | [585.13; 755.50] |
|
| Cp,gas | 553.18 | J/mol×K | 585.13 | Joback Calculated Property |
| Cp,gas | 570.23 | J/mol×K | 613.52 | Joback Calculated Property |
| Cp,gas | 586.55 | J/mol×K | 641.92 | Joback Calculated Property |
| Cp,gas | 602.16 | J/mol×K | 670.31 | Joback Calculated Property |
| Cp,gas | 617.06 | J/mol×K | 698.71 | Joback Calculated Property |
| Cp,gas | 631.27 | J/mol×K | 727.10 | Joback Calculated Property |
| Cp,gas | 644.82 | J/mol×K | 755.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylcarbamate, N,N-dibutyl.
Sources
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