- InChI
- InChI=1S/C21H32N2O5/c1-3-4-5-6-7-8-9-10-11-16-28-20(24)17-22(2)21(25)18-12-14-19(15-13-18)23(26)27/h12-15H,3-11,16-17H2,1-2H3
- InChI Key
- VXMKSVJQGXTRFY-UHFFFAOYSA-N
- Formula
- C21H32N2O5
- SMILES
-
CCCCCCCCCCCOC(=O)CN(C)C(=O)c1c
cc([N+](=O)[O-])cc1 - Molecular Weight1
- 392.49
- 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).
- 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 | 1.1438 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.741 | Crippen Calculated Property | |
| McVol | 319.400 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Tboil | 666.96 | K | Relay (1.0) Calculated Property |
| Tc | 923.49 | K | Relay (1.0) Calculated Property |
| Tfus | 337.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.25; 1129.77] | J/mol×K | [1005.98; 1233.11] | 
|
| Cp,gas | 1064.25 | J/mol×K | 1005.98 | Joback Calculated Property |
| Cp,gas | 1077.98 | J/mol×K | 1043.83 | Joback Calculated Property |
| Cp,gas | 1090.48 | J/mol×K | 1081.69 | Joback Calculated Property |
| Cp,gas | 1101.84 | J/mol×K | 1119.54 | Joback Calculated Property |
| Cp,gas | 1112.13 | J/mol×K | 1157.40 | Joback Calculated Property |
| Cp,gas | 1121.41 | J/mol×K | 1195.25 | Joback Calculated Property |
| Cp,gas | 1129.77 | J/mol×K | 1233.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-nitrobenzoyl)-, undecyl ester.
Sources
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