- InChI
- InChI=1S/C18H27NO3/c1-14(2)13-22-18(21)11-7-10-17(20)19-12-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,19,20)
- InChI Key
- HDJWBHJOCZKVBW-UHFFFAOYSA-N
- Formula
- C18H27NO3
- SMILES
-
CC(C)COC(=O)CCCC(=O)NCC(C)c1cc
ccc1 - Molecular Weight1
- 305.41
- 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 | 0.8052 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.276 | Crippen Calculated Property | |
| McVol | 259.710 | ml/mol | McGowan Calculated Property |
| Pc | 1629.85 | kPa | Joback Calculated Property |
| Inp | 2384.00 | NIST | |
| Tboil | 626.52 | K | Relay (1.0) Calculated Property |
| Tc | 845.46 | K | Relay (1.0) Calculated Property |
| Tfus | 328.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.56; 871.12] | J/mol×K | [817.37; 1023.63] | 
|
| Cp,gas | 792.56 | J/mol×K | 817.37 | Joback Calculated Property |
| Cp,gas | 808.30 | J/mol×K | 851.75 | Joback Calculated Property |
| Cp,gas | 822.93 | J/mol×K | 886.12 | Joback Calculated Property |
| Cp,gas | 836.49 | J/mol×K | 920.50 | Joback Calculated Property |
| Cp,gas | 849.01 | J/mol×K | 954.88 | Joback Calculated Property |
| Cp,gas | 860.54 | J/mol×K | 989.25 | Joback Calculated Property |
| Cp,gas | 871.12 | J/mol×K | 1023.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-phenylpropyl)-, isobutyl ester.
Sources
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