- InChI
- InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h2-5H2,1H3
- InChI Key
- YNTUHDRALXNDEQ-UHFFFAOYSA-N
- Formula
- C6H11NO
- SMILES
- COC1=NCCCC1
- Molecular Weight1
- 113.16
- CAS
- 5693-62-9
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 63.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.26 | kJ/mol | Joback Calculated Property |
| log10WS | -0.98 | Crippen Calculated Property | |
| logPoct/wat | 1.215 | Crippen Calculated Property | |
| McVol | 96.090 | ml/mol | McGowan Calculated Property |
| Pc | 4156.97 | kPa | Joback Calculated Property |
| Tboil | 441.16 | K | Joback Calculated Property |
| Tc | 662.76 | K | Joback Calculated Property |
| Tfus | 276.05 | K | Joback Calculated Property |
| Vc | 0.358 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.05; 275.74] | J/mol×K | [441.16; 662.76] | 
|
| Cp,gas | 198.05 | J/mol×K | 441.16 | Joback Calculated Property |
| Cp,gas | 212.60 | J/mol×K | 478.09 | Joback Calculated Property |
| Cp,gas | 226.52 | J/mol×K | 515.03 | Joback Calculated Property |
| Cp,gas | 239.80 | J/mol×K | 551.96 | Joback Calculated Property |
| Cp,gas | 252.44 | J/mol×K | 588.89 | Joback Calculated Property |
| Cp,gas | 264.42 | J/mol×K | 625.83 | Joback Calculated Property |
| Cp,gas | 275.74 | J/mol×K | 662.76 | Joback Calculated Property |
| ΔvapH | [41.00; 42.80] | kJ/mol | [315.00; 403.00] |
|
| ΔvapH | 42.80 | kJ/mol | 315.00 | NIST |
| ΔvapH | 41.00 ± 3.10 | kJ/mol | 403.00 | NIST |
Similar Compounds
Find more compounds similar to o-Methylvalerolactim.
Sources
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