- InChI
- InChI=1S/C7H14O2/c1-2-3-4-7-8-5-6-9-7/h7H,2-6H2,1H3
- InChI Key
- KODJTPVSRWYRDF-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCCCC1OCCO1
- Molecular Weight1
- 130.18
- CAS
- 4360-76-3
- Other Names
-
- 2-Butyl-1,3-dioxolane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -409.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.550 | Crippen Calculated Property | |
| McVol | 110.370 | ml/mol | McGowan Calculated Property |
| Inp | [936.00; 987.00] |
|
|
| Inp | 969.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 969.00 | NIST | |
| Tboil | 428.00 ± 2.00 | K | NIST |
| Tc | 612.87 | K | Relay (1.0) Calculated Property |
| Tfus | 206.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.47; 402.80] | 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 | -2.93170e+01 | |||
| Coefficient B | 7.94520e-01 | |||
| Coefficient C | -4.56600e-04 | |||
| Coefficient D | 9.42000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 198.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 237.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 302.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 328.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 371.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 388.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 402.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057061; 0.0003913] | Pa×s | [232.69; 436.88] |
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 | -1.09000e+01 | |||
| Coefficient B | 1.33420e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 232.69 | |||
| Temperature range, max. | 436.88 | |||
| η | 0.0057061 | Pa×s | 232.69 | Calculated Property |
| η | 0.0034286 | Pa×s | 255.38 | Calculated Property |
| η | 0.0022387 | Pa×s | 278.07 | Calculated Property |
| η | 0.0015588 | Pa×s | 300.75 | Calculated Property |
| η | 0.0011420 | Pa×s | 323.44 | Calculated Property |
| η | 0.0008714 | Pa×s | 346.13 | Calculated Property |
| η | 0.0006875 | Pa×s | 368.82 | Calculated Property |
| η | 0.0005574 | Pa×s | 391.50 | Calculated Property |
| η | 0.0004625 | Pa×s | 414.19 | Calculated Property |
| η | 0.0003913 | Pa×s | 436.88 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane, 2-butyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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