- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.3649 | Relay (1.0) 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 |
| 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 | |
| Ip | [969.00; 969.00] |
|
|
| Ip | 969.00 | NIST | |
| Ip | 969.00 | NIST | |
| Tboil | 387.00 ± 4.00 | K | NIST |
| Tc | 549.79 | K | Relay (1.0) Calculated Property |
| Tfus | 161.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 41.20 | kJ/mol | 316.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.26; 366.41] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.67520e+01 | |||
| Coefficient B | 4.53360e-01 | |||
| Coefficient C | -8.38000e-05 | |||
| Coefficient D | -4.99000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 251.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 299.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 320.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 353.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 366.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046299; 0.0001904] | Pa×s | [186.84; 385.34] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15698e+01 | |||
| Coefficient B | 1.15740e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 186.84 | |||
| Temperature range, max. | 385.34 | |||
| η | 0.0046299 | Pa×s | 186.84 | Calculated Property |
| η | 0.0024073 | Pa×s | 208.90 | Calculated Property |
| η | 0.0014182 | Pa×s | 230.95 | Calculated Property |
| η | 0.0009162 | Pa×s | 253.01 | Calculated Property |
| η | 0.0006349 | Pa×s | 275.06 | Calculated Property |
| η | 0.0004646 | Pa×s | 297.12 | Calculated Property |
| η | 0.0003549 | Pa×s | 319.17 | Calculated Property |
| η | 0.0002808 | Pa×s | 341.23 | Calculated Property |
| η | 0.0002285 | Pa×s | 363.29 | Calculated Property |
| η | 0.0001904 | Pa×s | 385.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,1-dimethoxy.
Sources
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