- InChI
- InChI=1S/C5H8O2/c1-4-5(6-2)7-3/h1,5H,2-3H3
- InChI Key
- OYSKRUJJSNSHLV-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C#CC(OC)OC
- Molecular Weight1
- 100.12
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 1.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.01 | kJ/mol | Joback Calculated Property |
| log10WS | -0.49 | Crippen Calculated Property | |
| logPoct/wat | 0.239 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | 722.00 | NIST | |
| Tboil | 348.32 | K | Joback Calculated Property |
| Tc | 530.07 | K | Joback Calculated Property |
| Tfus | 222.54 | K | Joback Calculated Property |
| Vc | 0.307 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.64; 188.03] | J/mol×K | [348.32; 530.07] | 
|
| Cp,gas | 148.64 | J/mol×K | 348.32 | Joback Calculated Property |
| Cp,gas | 155.57 | J/mol×K | 378.61 | Joback Calculated Property |
| Cp,gas | 162.37 | J/mol×K | 408.90 | Joback Calculated Property |
| Cp,gas | 169.02 | J/mol×K | 439.19 | Joback Calculated Property |
| Cp,gas | 175.52 | J/mol×K | 469.48 | Joback Calculated Property |
| Cp,gas | 181.85 | J/mol×K | 499.77 | Joback Calculated Property |
| Cp,gas | 188.03 | J/mol×K | 530.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propynal, dimethylacetal.
Sources
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