- InChI
- InChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10)
- InChI Key
- XPKSXAOQLADAFH-UHFFFAOYSA-N
- Formula
- C8H15NO3
- SMILES
- CCCCC(=O)NCC(=O)OC
- Molecular Weight1
- 173.21
- 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 | 0.6102 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.466 | Crippen Calculated Property | |
| McVol | 142.570 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | [1358.00; 1358.00] |
|
|
| Inp | 1358.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Tboil | 512.72 | K | Relay (1.0) Calculated Property |
| Tc | 694.87 | K | Relay (1.0) Calculated Property |
| Tfus | 299.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.46; 408.90] | J/mol×K | [562.77; 749.30] |
|
| Cp,gas | 345.46 | J/mol×K | 562.77 | Joback Calculated Property |
| Cp,gas | 357.34 | J/mol×K | 593.86 | Joback Calculated Property |
| Cp,gas | 368.69 | J/mol×K | 624.95 | Joback Calculated Property |
| Cp,gas | 379.52 | J/mol×K | 656.03 | Joback Calculated Property |
| Cp,gas | 389.82 | J/mol×K | 687.12 | Joback Calculated Property |
| Cp,gas | 399.62 | J/mol×K | 718.21 | Joback Calculated Property |
| Cp,gas | 408.90 | J/mol×K | 749.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Valerylglycine, methyl ester.
Sources
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