- InChI
- InChI=1S/C22H41NO4/c1-7-8-9-10-11-14-26-21(24)18(5)23(6)22(25)27-20-15-17(4)12-13-19(20)16(2)3/h16-20H,7-15H2,1-6H3
- InChI Key
- ZYJKVKNGJCTJAZ-UHFFFAOYSA-N
- Formula
- C22H41NO4
- SMILES
-
CCCCCCCOC(=O)C(C)N(C)C(=O)OC1C
C(C)CCC1C(C)C - Molecular Weight1
- 383.57
- 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 | 0.8725 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1038.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.418 | Crippen Calculated Property | |
| McVol | 334.840 | ml/mol | McGowan Calculated Property |
| Pc | 1050.73 | kPa | Joback Calculated Property |
| Inp | [2362.00; 2362.00] |
|
|
| Inp | 2362.00 | NIST | |
| Inp | 2362.00 | NIST | |
| Tboil | 629.65 | K | Relay (1.0) Calculated Property |
| Tc | 837.46 | K | Relay (1.0) Calculated Property |
| Tfus | 281.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.207 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1141.52; 1237.96] | J/mol×K | [877.11; 1078.36] |
|
| Cp,gas | 1141.52 | J/mol×K | 877.11 | Joback Calculated Property |
| Cp,gas | 1161.42 | J/mol×K | 910.65 | Joback Calculated Property |
| Cp,gas | 1179.76 | J/mol×K | 944.19 | Joback Calculated Property |
| Cp,gas | 1196.55 | J/mol×K | 977.74 | Joback Calculated Property |
| Cp,gas | 1211.84 | J/mol×K | 1011.28 | Joback Calculated Property |
| Cp,gas | 1225.63 | J/mol×K | 1044.82 | Joback Calculated Property |
| Cp,gas | 1237.96 | J/mol×K | 1078.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, heptyl ester.
Sources
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