- InChI
- InChI=1S/C23H45NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-27-23(26)21-24(3)22(25)19-7-5-2/h4-21H2,1-3H3
- InChI Key
- LEKUGSRCJMNXQC-UHFFFAOYSA-N
- Formula
- C23H45NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O
)CCCC - 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 | 1.1188 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -923.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.269 | Crippen Calculated Property | |
| McVol | 353.920 | ml/mol | McGowan Calculated Property |
| Pc | 907.79 | kPa | Joback Calculated Property |
| Inp | 2832.00 | NIST | |
| Tboil | 632.29 | K | Relay (1.0) Calculated Property |
| Tc | 824.65 | K | Relay (1.0) Calculated Property |
| Tfus | 305.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.369 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1166.36; 1269.52] | J/mol×K | [868.24; 1063.09] | 
|
| Cp,gas | 1166.36 | J/mol×K | 868.24 | Joback Calculated Property |
| Cp,gas | 1186.44 | J/mol×K | 900.72 | Joback Calculated Property |
| Cp,gas | 1205.31 | J/mol×K | 933.19 | Joback Calculated Property |
| Cp,gas | 1223.00 | J/mol×K | 965.67 | Joback Calculated Property |
| Cp,gas | 1239.57 | J/mol×K | 998.14 | Joback Calculated Property |
| Cp,gas | 1255.06 | J/mol×K | 1030.62 | Joback Calculated Property |
| Cp,gas | 1269.52 | J/mol×K | 1063.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-valeryl-, pentadecyl ester.
Sources
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