- InChI
- InChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3
- InChI Key
- MRVUYQAVPDEPRD-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CC(C)CC(O)(CC(C)C)C(C)C
- Molecular Weight1
- 186.33
- CAS
- 54775-01-8
- 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).
- 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° | -91.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Tboil | 561.59 | K | Joback Calculated Property |
| Tc | 735.20 | K | Joback Calculated Property |
| Tfus | 243.24 | K | Joback Calculated Property |
| Vc | 0.698 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.19; 568.96] | J/mol×K | [561.59; 735.20] | 
|
| Cp,gas | 482.19 | J/mol×K | 561.59 | Joback Calculated Property |
| Cp,gas | 498.50 | J/mol×K | 590.52 | Joback Calculated Property |
| Cp,gas | 514.02 | J/mol×K | 619.46 | Joback Calculated Property |
| Cp,gas | 528.80 | J/mol×K | 648.39 | Joback Calculated Property |
| Cp,gas | 542.87 | J/mol×K | 677.33 | Joback Calculated Property |
| Cp,gas | 556.24 | J/mol×K | 706.26 | Joback Calculated Property |
| Cp,gas | 568.96 | J/mol×K | 735.20 | Joback Calculated Property |
| η | [0.0000665; 0.2395481] | Pa×s | [243.24; 561.59] |
|
| η | 0.2395481 | Pa×s | 243.24 | Joback Calculated Property |
| η | 0.0180261 | Pa×s | 296.30 | Joback Calculated Property |
| η | 0.0029763 | Pa×s | 349.36 | Joback Calculated Property |
| η | 0.0007902 | Pa×s | 402.41 | Joback Calculated Property |
| η | 0.0002857 | Pa×s | 455.47 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 508.53 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 561.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-.
Sources
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