- InChI
- InChI=1S/C15H21NO4/c1-11(2)10-20-14(17)9-16(3)15(18)12-6-5-7-13(8-12)19-4/h5-8,11H,9-10H2,1-4H3
- InChI Key
- YTVHSWYUFFFHJE-UHFFFAOYSA-N
- Formula
- C15H21NO4
- SMILES
-
COc1cccc(C(=O)N(C)CC(=O)OCC(C)
C)c1 - Molecular Weight1
- 279.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -181.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 1.966 | Crippen Calculated Property | |
| McVol | 223.310 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | 2177.00 | NIST | |
| Tboil | 738.84 | K | Joback Calculated Property |
| Tc | 943.66 | K | Joback Calculated Property |
| Tfus | 459.54 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.20; 710.28] | J/mol×K | [738.84; 943.66] | 
|
| Cp,gas | 634.20 | J/mol×K | 738.84 | Joback Calculated Property |
| Cp,gas | 649.34 | J/mol×K | 772.98 | Joback Calculated Property |
| Cp,gas | 663.48 | J/mol×K | 807.11 | Joback Calculated Property |
| Cp,gas | 676.62 | J/mol×K | 841.25 | Joback Calculated Property |
| Cp,gas | 688.79 | J/mol×K | 875.39 | Joback Calculated Property |
| Cp,gas | 700.00 | J/mol×K | 909.52 | Joback Calculated Property |
| Cp,gas | 710.28 | J/mol×K | 943.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-methoxybenzoyl)-, isobutyl ester.
Sources
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