- InChI
- InChI=1S/C6H14O2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3
- InChI Key
- DZKUKLGGGNLHNY-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CCCC(OC)OC
- Molecular Weight1
- 118.17
- CAS
- 4461-87-4
- Other Names
-
- Butanal 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).
- ΔfH°liquid : Liquid phase 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° | -212.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -467.40 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 10.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.40; 41.70] | kJ/mol |
|
| ΔvapH° | 41.70 | kJ/mol | NIST |
| ΔvapH° | 41.40 | kJ/mol | NIST |
| log10WS | -1.12 | Crippen Calculated Property | |
| logPoct/wat | 1.405 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Inp | [741.00; 770.00] |
|
|
| Inp | 741.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 770.00 | NIST | |
| I | [969.00; 969.00] |
|
|
| I | 969.00 | NIST | |
| I | 969.00 | NIST | |
| Tboil | 387.00 ± 4.00 | K | NIST |
| Tc | 550.20 | K | Joback Calculated Property |
| Tfus | 186.84 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.59; 262.51] | J/mol×K | [381.08; 550.20] |
|
| Cp,gas | 204.59 | J/mol×K | 381.08 | Joback Calculated Property |
| Cp,gas | 214.84 | J/mol×K | 409.27 | Joback Calculated Property |
| Cp,gas | 224.86 | J/mol×K | 437.45 | Joback Calculated Property |
| Cp,gas | 234.65 | J/mol×K | 465.64 | Joback Calculated Property |
| Cp,gas | 244.19 | J/mol×K | 493.83 | Joback Calculated Property |
| Cp,gas | 253.48 | J/mol×K | 522.01 | Joback Calculated Property |
| Cp,gas | 262.51 | J/mol×K | 550.20 | Joback Calculated Property |
| η | [0.0001969; 0.0046299] | Pa×s | [186.84; 381.08] |
|
| η | 0.0046299 | Pa×s | 186.84 | Joback Calculated Property |
| η | 0.0018547 | Pa×s | 219.21 | Joback Calculated Property |
| η | 0.0009402 | Pa×s | 251.59 | Joback Calculated Property |
| η | 0.0005565 | Pa×s | 283.96 | Joback Calculated Property |
| η | 0.0003667 | Pa×s | 316.33 | Joback Calculated Property |
| η | 0.0002611 | Pa×s | 348.71 | Joback Calculated Property |
| η | 0.0001969 | Pa×s | 381.08 | Joback Calculated Property |
| ΔvapH | 41.20 | kJ/mol | 316.50 | NIST |
Similar Compounds
Find more compounds similar to Butane, 1,1-dimethoxy.
Sources
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