- InChI
- InChI=1S/C9H20O/c1-6-7-9(5,10)8(2,3)4/h10H,6-7H2,1-5H3
- InChI Key
- DHNHHYWBZNQHGN-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCC(C)(O)C(C)(C)C
- Molecular Weight1
- 144.25
- CAS
- 5340-41-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -106.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.584 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Tboil | 443.15 ± 4.00 | K | NIST |
| Tc | 668.44 | K | Joback Calculated Property |
| Tfus | 256.85 | K | Joback Calculated Property |
| Vc | 0.536 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.10; 415.37] | J/mol×K | [491.04; 668.44] | 
|
| Cp,gas | 340.10 | J/mol×K | 491.04 | Joback Calculated Property |
| Cp,gas | 354.48 | J/mol×K | 520.61 | Joback Calculated Property |
| Cp,gas | 368.08 | J/mol×K | 550.17 | Joback Calculated Property |
| Cp,gas | 380.92 | J/mol×K | 579.74 | Joback Calculated Property |
| Cp,gas | 393.06 | J/mol×K | 609.30 | Joback Calculated Property |
| Cp,gas | 404.53 | J/mol×K | 638.87 | Joback Calculated Property |
| Cp,gas | 415.37 | J/mol×K | 668.44 | Joback Calculated Property |
| η | [0.0001468; 0.0749843] | Pa×s | [256.85; 491.04] |
|
| η | 0.0749843 | Pa×s | 256.85 | Joback Calculated Property |
| η | 0.0133611 | Pa×s | 295.88 | Joback Calculated Property |
| η | 0.0035590 | Pa×s | 334.91 | Joback Calculated Property |
| η | 0.0012495 | Pa×s | 373.94 | Joback Calculated Property |
| η | 0.0005347 | Pa×s | 412.98 | Joback Calculated Property |
| η | 0.0002649 | Pa×s | 452.01 | Joback Calculated Property |
| η | 0.0001468 | Pa×s | 491.04 | Joback Calculated Property |
| ΔvapH | 55.10 | kJ/mol | 392.00 | NIST |
Similar Compounds
Find more compounds similar to 2,2,3-trimethylhexan-3-ol.
Sources
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