- InChI
- InChI=1S/C23H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-22(25)20-24(4)23(26)21(2)3/h21H,5-20H2,1-4H3
- InChI Key
- RXGNTFSQIFMBOR-UHFFFAOYSA-N
- Formula
- C23H45NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=
O)C(C)C - Molecular Weight1
- 383.61
- 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 | 1.0873 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -923.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.125 | Crippen Calculated Property | |
| McVol | 353.920 | ml/mol | McGowan Calculated Property |
| Pc | 912.18 | kPa | Joback Calculated Property |
| Inp | [2787.00; 2787.00] |
|
|
| Inp | 2787.00 | NIST | |
| Inp | 2787.00 | NIST | |
| Tboil | 619.79 | K | Relay (1.0) Calculated Property |
| Tc | 820.93 | K | Relay (1.0) Calculated Property |
| Tfus | 317.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1166.79; 1269.63] | J/mol×K | [867.80; 1062.44] |
|
| Cp,gas | 1166.79 | J/mol×K | 867.80 | Joback Calculated Property |
| Cp,gas | 1186.85 | J/mol×K | 900.24 | Joback Calculated Property |
| Cp,gas | 1205.67 | J/mol×K | 932.68 | Joback Calculated Property |
| Cp,gas | 1223.32 | J/mol×K | 965.12 | Joback Calculated Property |
| Cp,gas | 1239.83 | J/mol×K | 997.56 | Joback Calculated Property |
| Cp,gas | 1255.25 | J/mol×K | 1030.00 | Joback Calculated Property |
| Cp,gas | 1269.63 | J/mol×K | 1062.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-isobutyryl-, hexadecyl ester.
Sources
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