- InChI
- InChI=1S/C18H27NO4/c1-4-5-6-7-8-12-23-18(21)14(2)19-17(20)15-10-9-11-16(13-15)22-3/h9-11,13-14H,4-8,12H2,1-3H3,(H,19,20)
- InChI Key
- IMGRSSZOHYXAFC-UHFFFAOYSA-N
- Formula
- C18H27NO4
- SMILES
-
CCCCCCCOC(=O)C(C)NC(=O)c1cccc(
OC)c1 - Molecular Weight1
- 321.41
- 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 | 0.9138 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.327 | Crippen Calculated Property | |
| McVol | 265.580 | ml/mol | McGowan Calculated Property |
| Pc | 1578.46 | kPa | Joback Calculated Property |
| Inp | [2543.00; 2543.00] |
|
|
| Inp | 2543.00 | NIST | |
| Inp | 2543.00 | NIST | |
| Tboil | 632.48 | K | Relay (1.0) Calculated Property |
| Tc | 861.25 | K | Relay (1.0) Calculated Property |
| Tfus | 334.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [819.83; 893.27] | J/mol×K | [845.21; 1050.30] |
|
| Cp,gas | 819.83 | J/mol×K | 845.21 | Joback Calculated Property |
| Cp,gas | 834.84 | J/mol×K | 879.39 | Joback Calculated Property |
| Cp,gas | 848.71 | J/mol×K | 913.57 | Joback Calculated Property |
| Cp,gas | 861.47 | J/mol×K | 947.76 | Joback Calculated Property |
| Cp,gas | 873.14 | J/mol×K | 981.94 | Joback Calculated Property |
| Cp,gas | 883.73 | J/mol×K | 1016.12 | Joback Calculated Property |
| Cp,gas | 893.27 | J/mol×K | 1050.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-anisoyl)-, heptyl ester.
Sources
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