- InChI
- InChI=1S/C21H33NO3/c1-3-4-5-6-10-16-25-21(24)15-11-14-20(23)22-17-18(2)19-12-8-7-9-13-19/h7-9,12-13,18H,3-6,10-11,14-17H2,1-2H3,(H,22,23)
- InChI Key
- GCDDCAOWGDXNSF-UHFFFAOYSA-N
- Formula
- C21H33NO3
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)NCC(C)c1c
cccc1 - Molecular Weight1
- 347.49
- 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 | 0.9518 | Relay (1.0) Calculated Property | |
| ΔfG° | -37.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.590 | Crippen Calculated Property | |
| McVol | 301.980 | ml/mol | McGowan Calculated Property |
| Pc | 1300.47 | kPa | Joback Calculated Property |
| Inp | 2725.00 | NIST | |
| Tboil | 649.04 | K | Relay (1.0) Calculated Property |
| Tc | 872.48 | K | Relay (1.0) Calculated Property |
| Tfus | 318.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.100 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.90; 1049.55] | J/mol×K | [886.45; 1092.06] | 
|
| Cp,gas | 968.90 | J/mol×K | 886.45 | Joback Calculated Property |
| Cp,gas | 985.10 | J/mol×K | 920.72 | Joback Calculated Property |
| Cp,gas | 1000.13 | J/mol×K | 954.99 | Joback Calculated Property |
| Cp,gas | 1014.04 | J/mol×K | 989.26 | Joback Calculated Property |
| Cp,gas | 1026.88 | J/mol×K | 1023.52 | Joback Calculated Property |
| Cp,gas | 1038.70 | J/mol×K | 1057.79 | Joback Calculated Property |
| Cp,gas | 1049.55 | J/mol×K | 1092.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-phenylpropyl)-, heptyl ester.
Sources
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