- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3392 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.70 | Relay (1.0) 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 | 546.47 | K | Relay (1.0) Calculated Property |
| Tfus | 176.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.311 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.51; 191.83] | J/mol×K | [362.22; 539.36] |
|
| Cp,gas | 144.51 | J/mol×K | 362.22 | Joback Calculated Property |
| Cp,gas | 153.21 | J/mol×K | 391.74 | Joback Calculated Property |
| Cp,gas | 161.57 | J/mol×K | 421.27 | Joback Calculated Property |
| Cp,gas | 169.60 | J/mol×K | 450.79 | Joback Calculated Property |
| Cp,gas | 177.32 | J/mol×K | 480.32 | Joback Calculated Property |
| Cp,gas | 184.73 | J/mol×K | 509.84 | Joback Calculated Property |
| Cp,gas | 191.83 | J/mol×K | 539.36 | Joback Calculated Property |
| η | [0.0002987; 0.0063146] | Pa×s | [173.11; 362.22] |
|
| η | 0.0063146 | Pa×s | 173.11 | Joback Calculated Property |
| η | 0.0025669 | Pa×s | 204.63 | Joback Calculated Property |
| η | 0.0013269 | Pa×s | 236.15 | Joback Calculated Property |
| η | 0.0008012 | Pa×s | 267.67 | Joback Calculated Property |
| η | 0.0005380 | Pa×s | 299.18 | Joback Calculated Property |
| η | 0.0003898 | Pa×s | 330.70 | Joback Calculated Property |
| η | 0.0002987 | Pa×s | 362.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-methylbutanal.
Sources
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