- InChI
- InChI=1S/C23H43NO4/c1-7-8-9-10-11-12-15-27-22(25)19(5)24(6)23(26)28-21-16-18(4)13-14-20(21)17(2)3/h17-21H,7-16H2,1-6H3
- InChI Key
- DECALBIKVGJZIN-UHFFFAOYSA-N
- Formula
- C23H43NO4
- SMILES
-
CCCCCCCCOC(=O)C(C)N(C)C(=O)OC1
CC(C)CCC1C(C)C - Molecular Weight1
- 397.59
- 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 | 0.9112 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1058.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.808 | Crippen Calculated Property | |
| McVol | 348.930 | ml/mol | McGowan Calculated Property |
| Pc | 988.26 | kPa | Joback Calculated Property |
| Inp | [2460.00; 2460.00] |
|
|
| Inp | 2460.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Tboil | 636.79 | K | Relay (1.0) Calculated Property |
| Tc | 846.13 | K | Relay (1.0) Calculated Property |
| Tfus | 283.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.261 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1204.47; 1300.09] | J/mol×K | [899.99; 1103.97] |
|
| Cp,gas | 1204.47 | J/mol×K | 899.99 | Joback Calculated Property |
| Cp,gas | 1224.40 | J/mol×K | 933.99 | Joback Calculated Property |
| Cp,gas | 1242.70 | J/mol×K | 967.98 | Joback Calculated Property |
| Cp,gas | 1259.39 | J/mol×K | 1001.98 | Joback Calculated Property |
| Cp,gas | 1274.49 | J/mol×K | 1035.98 | Joback Calculated Property |
| Cp,gas | 1288.05 | J/mol×K | 1069.97 | Joback Calculated Property |
| Cp,gas | 1300.09 | J/mol×K | 1103.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, octyl ester.
Sources
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