- InChI
- InChI=1S/C20H29NO3/c1-2-3-6-15-24-20(23)14-8-13-19(22)21-18-12-7-10-16-9-4-5-11-17(16)18/h4-5,9,11,18H,2-3,6-8,10,12-15H2,1H3,(H,21,22)
- InChI Key
- VYWHDYPGONTCEX-UHFFFAOYSA-N
- Formula
- C20H29NO3
- SMILES
-
CCCCCOC(=O)CCCC(=O)NC1CCCc2ccc
cc21 - Molecular Weight1
- 331.45
- Other Names
-
- Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, pentyl ester
- 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 | 0.8823 | Relay (... Calculated Property | |
| ΔfG° | -4.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -4.18 | Relay (... Calculated Property | |
| logPoct/wat | 4.084 | Crippen Calculated Property | |
| McVol | 277.030 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Inp | 2752.00 | NIST | |
| Tboil | 665.48 | K | Relay (... Calculated Property |
| Tc | 909.43 | K | Relay (... Calculated Property |
| Tfus | 355.10 | K | Relay (... Calculated Property |
| Vc | 1.009 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [894.90; 975.14] | J/mol×K | [880.00; 1093.63] | 
|
| Cp,gas | 894.90 | J/mol×K | 880.00 | Joback Calculated Property |
| Cp,gas | 910.97 | J/mol×K | 915.60 | Joback Calculated Property |
| Cp,gas | 925.87 | J/mol×K | 951.21 | Joback Calculated Property |
| Cp,gas | 939.68 | J/mol×K | 986.81 | Joback Calculated Property |
| Cp,gas | 952.45 | J/mol×K | 1022.42 | Joback Calculated Property |
| Cp,gas | 964.25 | J/mol×K | 1058.02 | Joback Calculated Property |
| Cp,gas | 975.14 | J/mol×K | 1093.63 | Joback Calculated Property |
Similar Compounds
Sources
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