- InChI
- InChI=1S/C25H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-24(27)22-26(4)25(28)23(2)3/h23H,5-22H2,1-4H3
- InChI Key
- RYVNABYWBZYPEW-UHFFFAOYSA-N
- Formula
- C25H49NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C
(=O)C(C)C - Molecular Weight1
- 411.66
- 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 | 1.1575 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -964.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.905 | Crippen Calculated Property | |
| McVol | 382.100 | ml/mol | McGowan Calculated Property |
| Pc | 814.93 | kPa | Joback Calculated Property |
| Inp | [3074.00; 3074.00] |
|
|
| Inp | 3074.00 | NIST | |
| Inp | 3074.00 | NIST | |
| Tboil | 633.10 | K | Relay (1.0) Calculated Property |
| Tc | 835.46 | K | Relay (1.0) Calculated Property |
| Tfus | 323.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1293.82; 1400.95] | J/mol×K | [913.56; 1120.67] |
|
| Cp,gas | 1293.82 | J/mol×K | 913.56 | Joback Calculated Property |
| Cp,gas | 1315.00 | J/mol×K | 948.08 | Joback Calculated Property |
| Cp,gas | 1334.76 | J/mol×K | 982.60 | Joback Calculated Property |
| Cp,gas | 1353.17 | J/mol×K | 1017.12 | Joback Calculated Property |
| Cp,gas | 1370.30 | J/mol×K | 1051.63 | Joback Calculated Property |
| Cp,gas | 1386.21 | J/mol×K | 1086.15 | Joback Calculated Property |
| Cp,gas | 1400.95 | J/mol×K | 1120.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-isobutyryl-, octadecyl ester.
Sources
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