- InChI
- InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3
- InChI Key
- AEUTYOVWOVBAKS-UHFFFAOYSA-N
- Formula
- C10H24N2O2
- SMILES
- CCC(CO)NCCNC(CC)CO
- Molecular Weight1
- 204.31
- 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° | -66.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.31 | kJ/mol | Joback Calculated Property |
| log10WS | -0.56 | Rytting... | |
| logPoct/wat | -0.293 | Crippen Calculated Property | |
| McVol | 183.460 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Tboil | 712.02 | K | Joback Calculated Property |
| Tc | 882.71 | K | Joback Calculated Property |
| Tfus | 399.42 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.21; 613.48] | J/mol×K | [712.02; 882.71] | 
|
| Cp,gas | 549.21 | J/mol×K | 712.02 | Joback Calculated Property |
| Cp,gas | 561.30 | J/mol×K | 740.47 | Joback Calculated Property |
| Cp,gas | 572.81 | J/mol×K | 768.92 | Joback Calculated Property |
| Cp,gas | 583.77 | J/mol×K | 797.37 | Joback Calculated Property |
| Cp,gas | 594.18 | J/mol×K | 825.82 | Joback Calculated Property |
| Cp,gas | 604.08 | J/mol×K | 854.27 | Joback Calculated Property |
| Cp,gas | 613.48 | J/mol×K | 882.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diambutol.
Sources
- Crippen Method
- Joback Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
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