- InChI
- InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1
- InChI Key
- BYGQBDHUGHBGMD-RXMQYKEDSA-N
- Formula
- C5H10O
- SMILES
- CCC(C)C=O
- Molecular Weight1
- 86.13
- CAS
- 1730-97-8
- 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).
- 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° | -110.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.06 | kJ/mol | Joback Calculated Property |
| log10WS | -0.95 | Crippen Calculated Property | |
| logPoct/wat | 1.231 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Tboil | [364.00; 402.00] | K |
|
| Tboil | 364.00 ± 3.00 | K | NIST |
| Tboil | 364.70 ± 2.00 | K | NIST |
| Tboil | 402.00 ± 1.00 | K | NIST |
| Tc | 539.07 | K | Joback Calculated Property |
| Tfus | 173.11 | K | Joback Calculated Property |
| Vc | 0.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.45; 191.76] | J/mol×K | [362.02; 539.07] |
|
| Cp,gas | 144.45 | J/mol×K | 362.02 | Joback Calculated Property |
| Cp,gas | 153.14 | J/mol×K | 391.53 | Joback Calculated Property |
| Cp,gas | 161.50 | J/mol×K | 421.04 | Joback Calculated Property |
| Cp,gas | 169.54 | J/mol×K | 450.54 | Joback Calculated Property |
| Cp,gas | 177.25 | J/mol×K | 480.05 | Joback Calculated Property |
| Cp,gas | 184.66 | J/mol×K | 509.56 | Joback Calculated Property |
| Cp,gas | 191.76 | J/mol×K | 539.07 | Joback Calculated Property |
| η | [0.0002992; 0.0063146] | Pa×s | [173.11; 362.02] |
|
| η | 0.0063146 | Pa×s | 173.11 | Joback Calculated Property |
| η | 0.0025690 | Pa×s | 204.59 | Joback Calculated Property |
| η | 0.0013285 | Pa×s | 236.08 | Joback Calculated Property |
| η | 0.0008023 | Pa×s | 267.56 | Joback Calculated Property |
| η | 0.0005388 | Pa×s | 299.05 | Joback Calculated Property |
| η | 0.0003904 | Pa×s | 330.53 | Joback Calculated Property |
| η | 0.0002992 | Pa×s | 362.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-methylbutanal.
Sources
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