- InChI
- InChI=1S/C22H33NO3/c1-2-3-4-5-8-17-26-22(25)16-10-15-21(24)23-20-14-9-12-18-11-6-7-13-19(18)20/h6-7,11,13,20H,2-5,8-10,12,14-17H2,1H3,(H,23,24)
- InChI Key
- VGLJNHQTAMAFLU-UHFFFAOYSA-N
- Formula
- C22H33NO3
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)NC1CCCc2c
cccc21 - Molecular Weight1
- 359.50
- Other Names
-
- Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, heptyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 12.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.93 | kJ/mol | Joback Calculated Property |
| log10WS | -6.28 | Crippen Calculated Property | |
| logPoct/wat | 4.864 | Crippen Calculated Property | |
| McVol | 305.210 | ml/mol | McGowan Calculated Property |
| Pc | 1334.91 | kPa | Joback Calculated Property |
| Inp | 2974.00 | NIST | |
| Tboil | 925.76 | K | Joback Calculated Property |
| Tc | 1140.71 | K | Joback Calculated Property |
| Tfus | 565.81 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.05; 1096.92] | J/mol×K | [925.76; 1140.71] | 
|
| Cp,gas | 1015.05 | J/mol×K | 925.76 | Joback Calculated Property |
| Cp,gas | 1031.45 | J/mol×K | 961.59 | Joback Calculated Property |
| Cp,gas | 1046.65 | J/mol×K | 997.41 | Joback Calculated Property |
| Cp,gas | 1060.73 | J/mol×K | 1033.24 | Joback Calculated Property |
| Cp,gas | 1073.75 | J/mol×K | 1069.06 | Joback Calculated Property |
| Cp,gas | 1085.79 | J/mol×K | 1104.89 | Joback Calculated Property |
| Cp,gas | 1096.92 | J/mol×K | 1140.71 | Joback Calculated Property |
Similar Compounds
Sources
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