- InChI
- InChI=1S/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3
- InChI Key
- WTZJUXYVLRJTMQ-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCC1OCC(C)O1
- Molecular Weight1
- 144.21
- CAS
- 74094-60-3
- Other Names
-
- Pentanal propyleneglycol acetal
- 1,3-Dioxolane, 4-methyl-2-butyl
- 2-Butyl-4-methyl-1,3-dioxolane
- 1,3-Dioxolane, 2-butyl-4-methyl, cis
- 1,3-Dioxolane, 2-butyl-4-methyl, trans
- 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.
- 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° | -126.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.938 | Crippen Calculated Property | |
| McVol | 124.460 | ml/mol | McGowan Calculated Property |
| Pc | 2899.85 | kPa | Joback Calculated Property |
| Inp | [941.00; 979.00] |
|
|
| Inp | 976.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 945.00 | NIST | |
| Tboil | 446.95 | K | Joback Calculated Property |
| Tc | 639.65 | K | Joback Calculated Property |
| Tfus | 239.72 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.39; 361.73] | J/mol×K | [446.95; 639.65] |
|
| Cp,gas | 277.39 | J/mol×K | 446.95 | Joback Calculated Property |
| Cp,gas | 293.17 | J/mol×K | 479.07 | Joback Calculated Property |
| Cp,gas | 308.24 | J/mol×K | 511.18 | Joback Calculated Property |
| Cp,gas | 322.61 | J/mol×K | 543.30 | Joback Calculated Property |
| Cp,gas | 336.31 | J/mol×K | 575.41 | Joback Calculated Property |
| Cp,gas | 349.35 | J/mol×K | 607.53 | Joback Calculated Property |
| Cp,gas | 361.73 | J/mol×K | 639.65 | Joback Calculated Property |
| η | [0.0003992; 0.0039167] | Pa×s | [239.72; 446.95] |
|
| η | 0.0039167 | Pa×s | 239.72 | Joback Calculated Property |
| η | 0.0021065 | Pa×s | 274.26 | Joback Calculated Property |
| η | 0.0013015 | Pa×s | 308.80 | Joback Calculated Property |
| η | 0.0008859 | Pa×s | 343.34 | Joback Calculated Property |
| η | 0.0006470 | Pa×s | 377.87 | Joback Calculated Property |
| η | 0.0004980 | Pa×s | 412.41 | Joback Calculated Property |
| η | 0.0003992 | Pa×s | 446.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane, 2-butyl-4-methyl-.
Sources
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