- InChI
- InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3
- InChI Key
- BBMCNYFBAIUERL-UHFFFAOYSA-N
- Formula
- C9H20O2
- SMILES
- CCCCCCC(OC)OC
- Molecular Weight1
- 160.25
- CAS
- 10032-05-0
- Other Names
-
- Heptanal, dimethyl acetal
- 1,1-Dimethoxyheptane
- n-Heptanal dimethyl 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° | -187.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 2.576 | Crippen Calculated Property | |
| McVol | 149.410 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [1063.00; 1080.00] |
|
|
| Inp | 1080.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1080.00 | NIST | |
| I | [1261.00; 1265.00] |
|
|
| I | 1265.00 | NIST | |
| I | 1261.00 | NIST | |
| Tboil | 449.72 | K | Joback Calculated Property |
| Tc | 616.59 | K | Joback Calculated Property |
| Tfus | 220.65 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.83; 402.06] | J/mol×K | [449.72; 616.59] |
|
| Cp,gas | 324.83 | J/mol×K | 449.72 | Joback Calculated Property |
| Cp,gas | 338.74 | J/mol×K | 477.53 | Joback Calculated Property |
| Cp,gas | 352.24 | J/mol×K | 505.34 | Joback Calculated Property |
| Cp,gas | 365.32 | J/mol×K | 533.15 | Joback Calculated Property |
| Cp,gas | 377.99 | J/mol×K | 560.97 | Joback Calculated Property |
| Cp,gas | 390.23 | J/mol×K | 588.78 | Joback Calculated Property |
| Cp,gas | 402.06 | J/mol×K | 616.59 | Joback Calculated Property |
| η | [0.0001733; 0.0048122] | Pa×s | [220.65; 449.72] |
|
| η | 0.0048122 | Pa×s | 220.65 | Joback Calculated Property |
| η | 0.0018379 | Pa×s | 258.83 | Joback Calculated Property |
| η | 0.0008990 | Pa×s | 297.01 | Joback Calculated Property |
| η | 0.0005175 | Pa×s | 335.19 | Joback Calculated Property |
| η | 0.0003336 | Pa×s | 373.36 | Joback Calculated Property |
| η | 0.0002332 | Pa×s | 411.54 | Joback Calculated Property |
| η | 0.0001733 | Pa×s | 449.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1,1-dimethoxy-.
Sources
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