- InChI
- InChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3
- InChI Key
- QCJVKUULZGKQDG-UHFFFAOYSA-N
- Formula
- C12H26O3
- SMILES
- COC(CC(C)CCCC(C)(C)O)OC
- Molecular Weight1
- 218.33
- CAS
- 141-92-4
- Other Names
-
- Octanal, 7-hydroxy-3,7-dimethyl-, dimethyl acetal
- Hydroxycitronellal dimethyl acetal
- Laurine dimethyl acetal
- 7-Hydroxy-3,7-dimethyloctanal, dimethyl acetal
- Citronellal hydrate dimethylacetal
- Hydroxycitronellal DMA
- 8,8-Dimethoxy-2,6-dimethyl-2-octanol
- 1,1-Dimethoxy-3,7-dimethyl-7-octanol
- NSC 76412
- 8,8-dimethoxy-2,6-dimethyloctan-2-ol
- 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).
- 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° | -298.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 2.573 | Crippen Calculated Property | |
| McVol | 197.550 | ml/mol | McGowan Calculated Property |
| Pc | 1928.74 | kPa | Joback Calculated Property |
| Inp | 1413.70 | NIST | |
| Tboil | 606.87 | K | Joback Calculated Property |
| Tc | 777.03 | K | Joback Calculated Property |
| Tfus | 302.70 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.30; 620.90] | J/mol×K | [606.87; 777.03] | 
|
| Cp,gas | 538.30 | J/mol×K | 606.87 | Joback Calculated Property |
| Cp,gas | 553.71 | J/mol×K | 635.23 | Joback Calculated Property |
| Cp,gas | 568.44 | J/mol×K | 663.59 | Joback Calculated Property |
| Cp,gas | 582.51 | J/mol×K | 691.95 | Joback Calculated Property |
| Cp,gas | 595.94 | J/mol×K | 720.31 | Joback Calculated Property |
| Cp,gas | 608.73 | J/mol×K | 748.67 | Joback Calculated Property |
| Cp,gas | 620.90 | J/mol×K | 777.03 | Joback Calculated Property |
| η | [0.0000363; 0.0171709] | Pa×s | [302.70; 606.87] |
|
| η | 0.0171709 | Pa×s | 302.70 | Joback Calculated Property |
| η | 0.0029451 | Pa×s | 353.39 | Joback Calculated Property |
| η | 0.0007862 | Pa×s | 404.09 | Joback Calculated Property |
| η | 0.0002817 | Pa×s | 454.78 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 505.48 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 556.17 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 606.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octanol, 8,8-dimethoxy-2,6-dimethyl-.
Sources
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