- InChI
- InChI=1S/C12H23NO3/c1-4-6-8-11(14)13(3)10-12(15)16-9-7-5-2/h4-10H2,1-3H3
- InChI Key
- LVFSYISKIGGXIX-UHFFFAOYSA-N
- Formula
- C12H23NO3
- SMILES
- CCCCOC(=O)CN(C)C(=O)CCCC
- Molecular Weight1
- 229.32
- 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 | 0.7277 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.978 | Crippen Calculated Property | |
| McVol | 198.930 | ml/mol | McGowan Calculated Property |
| Pc | 1952.68 | kPa | Joback Calculated Property |
| Inp | [1712.00; 1712.00] |
|
|
| Inp | 1712.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Tboil | 547.16 | K | Relay (1.0) Calculated Property |
| Tc | 722.43 | K | Relay (1.0) Calculated Property |
| Tfus | 248.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.758 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.69; 607.21] | J/mol×K | [616.56; 792.98] |
|
| Cp,gas | 526.69 | J/mol×K | 616.56 | Joback Calculated Property |
| Cp,gas | 541.82 | J/mol×K | 645.96 | Joback Calculated Property |
| Cp,gas | 556.25 | J/mol×K | 675.37 | Joback Calculated Property |
| Cp,gas | 569.98 | J/mol×K | 704.77 | Joback Calculated Property |
| Cp,gas | 583.05 | J/mol×K | 734.17 | Joback Calculated Property |
| Cp,gas | 595.45 | J/mol×K | 763.58 | Joback Calculated Property |
| Cp,gas | 607.21 | J/mol×K | 792.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-valeryl-, butyl ester.
Sources
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