- InChI
- InChI=1S/C25H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-25(28)23-26(3)24(27)21-7-5-2/h4-23H2,1-3H3
- InChI Key
- RKAAXXKJRLMTRO-UHFFFAOYSA-N
- Formula
- C25H49NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(
=O)CCCC - 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 | 1.1892 | Relay (1.0) Calculated Property | |
| ΔfG° | -92.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -964.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.050 | Crippen Calculated Property | |
| McVol | 382.100 | ml/mol | McGowan Calculated Property |
| Pc | 811.22 | kPa | Joback Calculated Property |
| Inp | [3120.00; 3120.00] |
|
|
| Inp | 3120.00 | NIST | |
| Inp | 3120.00 | NIST | |
| Tboil | 645.35 | K | Relay (1.0) Calculated Property |
| Tc | 838.44 | K | Relay (1.0) Calculated Property |
| Tfus | 312.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1293.43; 1401.30] | J/mol×K | [914.00; 1122.09] |
|
| Cp,gas | 1293.43 | J/mol×K | 914.00 | Joback Calculated Property |
| Cp,gas | 1314.73 | J/mol×K | 948.68 | Joback Calculated Property |
| Cp,gas | 1334.61 | J/mol×K | 983.36 | Joback Calculated Property |
| Cp,gas | 1353.15 | J/mol×K | 1018.05 | Joback Calculated Property |
| Cp,gas | 1370.40 | J/mol×K | 1052.73 | Joback Calculated Property |
| Cp,gas | 1386.43 | J/mol×K | 1087.41 | Joback Calculated Property |
| Cp,gas | 1401.30 | J/mol×K | 1122.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-valeryl-, heptadecyl ester.
Sources
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