- InChI
- InChI=1S/C8H14ClNO3/c1-13-8(12)6-10-7(11)4-2-3-5-9/h2-6H2,1H3,(H,10,11)
- InChI Key
- DSJFHGNKSIAIHB-UHFFFAOYSA-N
- Formula
- C8H14ClNO3
- SMILES
- COC(=O)CNC(=O)CCCCCl
- Molecular Weight1
- 207.66
- 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° | -268.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.12 | kJ/mol | Joback Calculated Property |
| log10WS | -1.15 | Crippen Calculated Property | |
| logPoct/wat | 0.685 | Crippen Calculated Property | |
| McVol | 154.810 | ml/mol | McGowan Calculated Property |
| Pc | 2767.17 | kPa | Joback Calculated Property |
| Inp | [1618.00; 1618.00] |
|
|
| Inp | 1618.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Tboil | 600.20 | K | Joback Calculated Property |
| Tc | 791.11 | K | Joback Calculated Property |
| Tfus | 384.59 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.25; 430.52] | J/mol×K | [600.20; 791.11] |
|
| Cp,gas | 371.25 | J/mol×K | 600.20 | Joback Calculated Property |
| Cp,gas | 382.50 | J/mol×K | 632.02 | Joback Calculated Property |
| Cp,gas | 393.19 | J/mol×K | 663.84 | Joback Calculated Property |
| Cp,gas | 403.33 | J/mol×K | 695.66 | Joback Calculated Property |
| Cp,gas | 412.93 | J/mol×K | 727.48 | Joback Calculated Property |
| Cp,gas | 421.99 | J/mol×K | 759.29 | Joback Calculated Property |
| Cp,gas | 430.52 | J/mol×K | 791.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-(5-chlorovaleryl)-, methyl ester.
Sources
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