- InChI
- InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3
- InChI Key
- BRKIPAWFUDCCOO-UHFFFAOYSA-N
- Formula
- C12H26O2
- SMILES
- CCCCCCCC(OCC)OCC
- Molecular Weight1
- 202.33
- CAS
- 54889-48-4
- Other Names
-
- Octanal diethyl acetal
- 1,1-Diethoxyoctane
- n-Octanal diethyl acetal
- 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.
- I : 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° | -162.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 191.680 | ml/mol | McGowan Calculated Property |
| Pc | 1741.91 | kPa | Joback Calculated Property |
| Inp | [1270.00; 1276.00] |
|
|
| Inp | 1270.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1270.00 | NIST | |
| I | [1417.00; 1431.00] |
|
|
| I | 1431.00 | NIST | |
| I | 1417.00 | NIST | |
| Tboil | 518.36 | K | Joback Calculated Property |
| Tc | 682.34 | K | Joback Calculated Property |
| Tfus | 254.46 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.54; 555.42] | J/mol×K | [518.36; 682.34] |
|
| Cp,gas | 464.54 | J/mol×K | 518.36 | Joback Calculated Property |
| Cp,gas | 481.08 | J/mol×K | 545.69 | Joback Calculated Property |
| Cp,gas | 497.06 | J/mol×K | 573.02 | Joback Calculated Property |
| Cp,gas | 512.48 | J/mol×K | 600.35 | Joback Calculated Property |
| Cp,gas | 527.34 | J/mol×K | 627.68 | Joback Calculated Property |
| Cp,gas | 541.66 | J/mol×K | 655.01 | Joback Calculated Property |
| Cp,gas | 555.42 | J/mol×K | 682.34 | Joback Calculated Property |
| η | [0.0001359; 0.0042647] | Pa×s | [254.46; 518.36] |
|
| η | 0.0042647 | Pa×s | 254.46 | Joback Calculated Property |
| η | 0.0015728 | Pa×s | 298.44 | Joback Calculated Property |
| η | 0.0007494 | Pa×s | 342.43 | Joback Calculated Property |
| η | 0.0004228 | Pa×s | 386.41 | Joback Calculated Property |
| η | 0.0002681 | Pa×s | 430.39 | Joback Calculated Property |
| η | 0.0001850 | Pa×s | 474.38 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 518.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1,1-diethoxy-.
Sources
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