- InChI
- InChI=1S/C21H31NO3/c1-2-3-4-7-16-25-21(24)15-9-14-20(23)22-19-13-8-11-17-10-5-6-12-18(17)19/h5-6,10,12,19H,2-4,7-9,11,13-16H2,1H3,(H,22,23)
- InChI Key
- FXOCLNOECOSQTI-UHFFFAOYSA-N
- Formula
- C21H31NO3
- SMILES
-
CCCCCCOC(=O)CCCC(=O)NC1CCCc2cc
ccc21 - Molecular Weight1
- 345.48
- Other Names
-
- Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, hexyl 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° | 3.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 4.474 | Crippen Calculated Property | |
| McVol | 291.120 | ml/mol | McGowan Calculated Property |
| Pc | 1433.72 | kPa | Joback Calculated Property |
| Inp | 2855.00 | NIST | |
| Tboil | 902.88 | K | Joback Calculated Property |
| Tc | 1116.78 | K | Joback Calculated Property |
| Tfus | 554.54 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [954.64; 1035.67] | J/mol×K | [902.88; 1116.78] | 
|
| Cp,gas | 954.64 | J/mol×K | 902.88 | Joback Calculated Property |
| Cp,gas | 970.87 | J/mol×K | 938.53 | Joback Calculated Property |
| Cp,gas | 985.92 | J/mol×K | 974.18 | Joback Calculated Property |
| Cp,gas | 999.85 | J/mol×K | 1009.83 | Joback Calculated Property |
| Cp,gas | 1012.75 | J/mol×K | 1045.48 | Joback Calculated Property |
| Cp,gas | 1024.67 | J/mol×K | 1081.13 | Joback Calculated Property |
| Cp,gas | 1035.67 | J/mol×K | 1116.78 | Joback Calculated Property |
Similar Compounds
Sources
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