- InChI
- InChI=1S/C21H41NO3/c1-4-6-8-9-10-11-12-13-14-16-18-25-21(24)19-22(3)20(23)17-15-7-5-2/h4-19H2,1-3H3
- InChI Key
- OZGGKIZUGSDRKE-UHFFFAOYSA-N
- Formula
- C21H41NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CN(C)C(=O)CC
CCC - Molecular Weight1
- 355.56
- 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 | 1.0478 | Relay (... Calculated Property | |
| ΔfG° | -126.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 57.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.31 | kJ/mol | Relay (... Calculated Property |
| IE | 8.75 | eV | Relay (... Calculated Property |
| log10WS | -4.95 | Relay (... Calculated Property | |
| logPoct/wat | 5.489 | Crippen Calculated Property | |
| McVol | 325.740 | ml/mol | McGowan Calculated Property |
| Pc | 1022.69 | kPa | Joback Calculated Property |
| Inp | [2608.00; 2608.00] |
|
|
| Inp | 2608.00 | NIST | |
| Inp | 2608.00 | NIST | |
| Tboil | 619.83 | K | Relay (... Calculated Property |
| Tc | 811.18 | K | Relay (... Calculated Property |
| Tfus | 298.52 | K | Relay (... Calculated Property |
| Vc | 1.257 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.80; 1140.82] | J/mol×K | [822.48; 1007.92] |
|
| Cp,gas | 1041.80 | J/mol×K | 822.48 | Joback Calculated Property |
| Cp,gas | 1060.87 | J/mol×K | 853.39 | Joback Calculated Property |
| Cp,gas | 1078.86 | J/mol×K | 884.29 | Joback Calculated Property |
| Cp,gas | 1095.82 | J/mol×K | 915.20 | Joback Calculated Property |
| Cp,gas | 1111.78 | J/mol×K | 946.11 | Joback Calculated Property |
| Cp,gas | 1126.76 | J/mol×K | 977.01 | Joback Calculated Property |
| Cp,gas | 1140.82 | J/mol×K | 1007.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, n-hexanoyl-, dodecyl ester.
Sources
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