- InChI
- InChI=1S/C9H18O2/c1-2-3-4-5-6-9-10-7-8-11-9/h9H,2-8H2,1H3
- InChI Key
- DDSSJDFXTAYRNO-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCCC1OCCO1
- Molecular Weight1
- 158.24
- CAS
- 1708-34-5
- Other Names
-
- Ethylene glycol acetal of heptaldehyde
- Heptaldehyde, ethylene glycol acetal
- Heptanal, cyclic ethylene acetal
- Heptanal, cyclic 1,2-ethanediyl acetal
- 2-n-Hexyl-1,3-dioxolane
- 2-Hexyl-1,3-dioxolane
- n-Heptanal ethyleneglycol 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).
- 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).
- 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° | -110.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 2.330 | Crippen Calculated Property | |
| McVol | 138.550 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Inp | [1144.00; 1144.00] |
|
|
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| I | 1460.00 | NIST | |
| Tboil | 469.00 ± 3.00 | K | NIST |
| Tc | 665.44 | K | Joback Calculated Property |
| Tfus | 255.23 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.33; 408.41] | J/mol×K | [474.50; 665.44] |
|
| Cp,gas | 321.33 | J/mol×K | 474.50 | Joback Calculated Property |
| Cp,gas | 337.72 | J/mol×K | 506.32 | Joback Calculated Property |
| Cp,gas | 353.33 | J/mol×K | 538.15 | Joback Calculated Property |
| Cp,gas | 368.18 | J/mol×K | 569.97 | Joback Calculated Property |
| Cp,gas | 382.30 | J/mol×K | 601.80 | Joback Calculated Property |
| Cp,gas | 395.70 | J/mol×K | 633.62 | Joback Calculated Property |
| Cp,gas | 408.41 | J/mol×K | 665.44 | Joback Calculated Property |
| η | [0.0003729; 0.0058718] | Pa×s | [255.23; 474.50] |
|
| η | 0.0058718 | Pa×s | 255.23 | Joback Calculated Property |
| η | 0.0027815 | Pa×s | 291.77 | Joback Calculated Property |
| η | 0.0015561 | Pa×s | 328.32 | Joback Calculated Property |
| η | 0.0009780 | Pa×s | 364.87 | Joback Calculated Property |
| η | 0.0006688 | Pa×s | 401.41 | Joback Calculated Property |
| η | 0.0004874 | Pa×s | 437.96 | Joback Calculated Property |
| η | 0.0003729 | Pa×s | 474.50 | Joback Calculated Property |
| ΔvapH | 55.00 | kJ/mol | 339.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane, 2-hexyl-.
Sources
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