- InChI
- InChI=1S/C9H16ClNO3/c1-7(9(13)14-2)11-8(12)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
- InChI Key
- XARKWCNFPJCPGN-UHFFFAOYSA-N
- Formula
- C9H16ClNO3
- SMILES
- COC(=O)C(C)NC(=O)CCCCCl
- Molecular Weight1
- 221.68
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6404 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.073 | Crippen Calculated Property | |
| McVol | 168.900 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | [1598.00; 1598.00] |
|
|
| Inp | 1598.00 | NIST | |
| Inp | 1598.00 | NIST | |
| Tboil | 527.69 | K | Relay (1.0) Calculated Property |
| Tc | 742.47 | K | Relay (1.0) Calculated Property |
| Tfus | 333.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.91; 484.10] | J/mol×K | [622.64; 814.83] |
|
| Cp,gas | 419.91 | J/mol×K | 622.64 | Joback Calculated Property |
| Cp,gas | 432.16 | J/mol×K | 654.67 | Joback Calculated Property |
| Cp,gas | 443.77 | J/mol×K | 686.70 | Joback Calculated Property |
| Cp,gas | 454.77 | J/mol×K | 718.73 | Joback Calculated Property |
| Cp,gas | 465.15 | J/mol×K | 750.77 | Joback Calculated Property |
| Cp,gas | 474.92 | J/mol×K | 782.80 | Joback Calculated Property |
| Cp,gas | 484.10 | J/mol×K | 814.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Alanine, N-(5-chlorovaleryl)-, methyl ester.
Sources
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