- InChI
- InChI=1S/C19H29NO3/c1-15(2)9-8-14-23-19(22)13-7-12-18(21)20-16(3)17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3,(H,20,21)
- InChI Key
- BWUJKMHGLBBFKA-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)NC(C)c1c
cccc1 - 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 | 0.8400 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.013 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1510.50 | kPa | Joback Calculated Property |
| Inp | 2478.00 | NIST | |
| Tboil | 623.64 | K | Relay (1.0) Calculated Property |
| Tc | 855.88 | K | Relay (1.0) Calculated Property |
| Tfus | 338.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.73; 930.08] | J/mol×K | [840.25; 1046.05] | 
|
| Cp,gas | 850.73 | J/mol×K | 840.25 | Joback Calculated Property |
| Cp,gas | 866.65 | J/mol×K | 874.55 | Joback Calculated Property |
| Cp,gas | 881.44 | J/mol×K | 908.85 | Joback Calculated Property |
| Cp,gas | 895.13 | J/mol×K | 943.15 | Joback Calculated Property |
| Cp,gas | 907.78 | J/mol×K | 977.45 | Joback Calculated Property |
| Cp,gas | 919.41 | J/mol×K | 1011.75 | Joback Calculated Property |
| Cp,gas | 930.08 | J/mol×K | 1046.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(1-phenylethyl)-, isohexyl ester.
Sources
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