- InChI
- InChI=1S/C20H31NO3/c1-3-4-5-6-10-16-24-20(23)15-11-14-19(22)21-17(2)18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3,(H,21,22)
- InChI Key
- XVMGJKWVGBSTIW-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)NC(C)c1cc
ccc1 - Molecular Weight1
- 333.46
- 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 | 0.9168 | Relay (1.0) Calculated Property | |
| ΔfG° | -45.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.548 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1395.41 | kPa | Joback Calculated Property |
| Inp | 2615.00 | NIST | |
| Tboil | 632.33 | K | Relay (1.0) Calculated Property |
| Tc | 867.14 | K | Relay (1.0) Calculated Property |
| Tfus | 330.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.055 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.18; 989.00] | J/mol×K | [863.57; 1067.89] | 
|
| Cp,gas | 909.18 | J/mol×K | 863.57 | Joback Calculated Property |
| Cp,gas | 925.17 | J/mol×K | 897.62 | Joback Calculated Property |
| Cp,gas | 940.02 | J/mol×K | 931.68 | Joback Calculated Property |
| Cp,gas | 953.79 | J/mol×K | 965.73 | Joback Calculated Property |
| Cp,gas | 966.51 | J/mol×K | 999.78 | Joback Calculated Property |
| Cp,gas | 978.23 | J/mol×K | 1033.84 | Joback Calculated Property |
| Cp,gas | 989.00 | J/mol×K | 1067.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(1-phenylethyl)-, heptyl ester.
Sources
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