- InChI
- InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-28(31)24(2)29-27(30)25-20-19-21-26(23-25)32-3/h19-21,23-24H,4-18,22H2,1-3H3,(H,29,30)
- InChI Key
- JCPFWVGQICPTJM-UHFFFAOYSA-N
- Formula
- C28H47NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(
=O)c1cccc(OC)c1 - Molecular Weight1
- 461.68
- 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 | 1.2809 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -951.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.228 | Crippen Calculated Property | |
| McVol | 406.480 | ml/mol | McGowan Calculated Property |
| Pc | 827.16 | kPa | Joback Calculated Property |
| Inp | 3559.00 | NIST | |
| Tboil | 700.43 | K | Relay (1.0) Calculated Property |
| Tc | 930.82 | K | Relay (1.0) Calculated Property |
| Tfus | 350.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1430.42; 1505.69] | J/mol×K | [1074.01; 1325.04] | 
|
| Cp,gas | 1430.42 | J/mol×K | 1074.01 | Joback Calculated Property |
| Cp,gas | 1447.66 | J/mol×K | 1115.85 | Joback Calculated Property |
| Cp,gas | 1462.89 | J/mol×K | 1157.69 | Joback Calculated Property |
| Cp,gas | 1476.23 | J/mol×K | 1199.52 | Joback Calculated Property |
| Cp,gas | 1487.74 | J/mol×K | 1241.36 | Joback Calculated Property |
| Cp,gas | 1497.53 | J/mol×K | 1283.20 | Joback Calculated Property |
| Cp,gas | 1505.69 | J/mol×K | 1325.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-anisoyl)-, heptadecyl ester.
Sources
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