- InChI
- InChI=1S/C14H23Cl2NO5/c1-21-14(20)11(17-12(18)6-2-4-8-15)10-22-13(19)7-3-5-9-16/h11H,2-10H2,1H3,(H,17,18)
- InChI Key
- AFGCSGILQIJBKA-UHFFFAOYSA-N
- Formula
- C14H23Cl2NO5
- SMILES
-
COC(=O)C(COC(=O)CCCCCl)NC(=O)C
CCCCl - Molecular Weight1
- 356.24
- Other Names
-
- L-Seine, N,O-bis(5-chlorovaleyl), methyl ester
- 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 | 0.9224 | Relay (1.0) Calculated Property | |
| ΔfG° | -466.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.006 | Crippen Calculated Property | |
| McVol | 259.030 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | [2453.00; 2453.00] |
|
|
| Inp | 2453.00 | NIST | |
| Inp | 2453.00 | NIST | |
| Tboil | 605.66 | K | Relay (1.0) Calculated Property |
| Tc | 839.86 | K | Relay (1.0) Calculated Property |
| Tfus | 323.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [752.30; 811.46] | J/mol×K | [850.76; 1050.60] |
|
| Cp,gas | 752.30 | J/mol×K | 850.76 | Joback Calculated Property |
| Cp,gas | 764.50 | J/mol×K | 884.07 | Joback Calculated Property |
| Cp,gas | 775.75 | J/mol×K | 917.37 | Joback Calculated Property |
| Cp,gas | 786.07 | J/mol×K | 950.68 | Joback Calculated Property |
| Cp,gas | 795.45 | J/mol×K | 983.99 | Joback Calculated Property |
| Cp,gas | 803.91 | J/mol×K | 1017.29 | Joback Calculated Property |
| Cp,gas | 811.46 | J/mol×K | 1050.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Serine, N,O-bis(5-chlorovaleyl), methyl ester.
Sources
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