- InChI
- InChI=1S/C11H21NO3/c1-4-6-7-10(13)12(3)9-11(14)15-8-5-2/h4-9H2,1-3H3
- InChI Key
- XYLPTBMTYSRXOJ-UHFFFAOYSA-N
- Formula
- C11H21NO3
- SMILES
- CCCCC(=O)N(C)CC(=O)OCCC
- Molecular Weight1
- 215.29
- 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 | 0.6896 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.588 | Crippen Calculated Property | |
| McVol | 184.840 | ml/mol | McGowan Calculated Property |
| Pc | 2129.52 | kPa | Joback Calculated Property |
| Inp | [1608.00; 1608.00] |
|
|
| Inp | 1608.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Tboil | 537.38 | K | Relay (1.0) Calculated Property |
| Tc | 708.63 | K | Relay (1.0) Calculated Property |
| Tfus | 251.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.61; 553.15] | J/mol×K | [593.68; 771.34] |
|
| Cp,gas | 475.61 | J/mol×K | 593.68 | Joback Calculated Property |
| Cp,gas | 490.16 | J/mol×K | 623.29 | Joback Calculated Property |
| Cp,gas | 504.05 | J/mol×K | 652.90 | Joback Calculated Property |
| Cp,gas | 517.27 | J/mol×K | 682.51 | Joback Calculated Property |
| Cp,gas | 529.86 | J/mol×K | 712.12 | Joback Calculated Property |
| Cp,gas | 541.81 | J/mol×K | 741.73 | Joback Calculated Property |
| Cp,gas | 553.15 | J/mol×K | 771.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-valeryl-, propyl ester.
Sources
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