- InChI
- InChI=1S/C19H29NO3/c1-4-6-8-14-23-19(22)15(3)20-18(21)17-12-10-16(11-13-17)9-7-5-2/h10-13,15H,4-9,14H2,1-3H3,(H,20,21)
- InChI Key
- XFUWYBSDJXIXSA-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
CCCCCOC(=O)C(C)NC(=O)c1ccc(CCC
C)cc1 - Molecular Weight1
- 319.44
- 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 | 0.8958 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.881 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1483.85 | kPa | Joback Calculated Property |
| Inp | [2523.00; 2523.00] |
|
|
| Inp | 2523.00 | NIST | |
| Inp | 2523.00 | NIST | |
| Tboil | 629.42 | K | Relay (1.0) Calculated Property |
| Tc | 855.24 | K | Relay (1.0) Calculated Property |
| Tfus | 327.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.004 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.47; 927.84] | J/mol×K | [845.67; 1050.28] |
|
| Cp,gas | 849.47 | J/mol×K | 845.67 | Joback Calculated Property |
| Cp,gas | 865.17 | J/mol×K | 879.77 | Joback Calculated Property |
| Cp,gas | 879.77 | J/mol×K | 913.87 | Joback Calculated Property |
| Cp,gas | 893.29 | J/mol×K | 947.97 | Joback Calculated Property |
| Cp,gas | 905.79 | J/mol×K | 982.08 | Joback Calculated Property |
| Cp,gas | 917.29 | J/mol×K | 1016.18 | Joback Calculated Property |
| Cp,gas | 927.84 | J/mol×K | 1050.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-butylbenzoyl)-, pentyl ester.
Sources
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