- InChI
- InChI=1S/C19H27NO3/c1-14(2)13-23-19(22)12-6-11-18(21)20-17-10-5-8-15-7-3-4-9-16(15)17/h3-4,7,9,14,17H,5-6,8,10-13H2,1-2H3,(H,20,21)
- InChI Key
- NYRRXRMOJBZWDR-UHFFFAOYSA-N
- Formula
- C19H27NO3
- SMILES
-
CC(C)COC(=O)CCCC(=O)NC1CCCc2cc
ccc21 - Molecular Weight1
- 317.42
- Other Names
-
- Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, isobutyl 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° | -15.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 3.550 | Crippen Calculated Property | |
| McVol | 262.940 | ml/mol | McGowan Calculated Property |
| Pc | 1678.28 | kPa | Joback Calculated Property |
| Inp | [2612.00; 2612.00] |
|
|
| Inp | 2612.00 | NIST | |
| Inp | 2612.00 | NIST | |
| Tboil | 856.68 | K | Joback Calculated Property |
| Tc | 1073.26 | K | Joback Calculated Property |
| Tfus | 517.00 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.41; 916.29] | J/mol×K | [856.68; 1073.26] |
|
| Cp,gas | 836.41 | J/mol×K | 856.68 | Joback Calculated Property |
| Cp,gas | 852.49 | J/mol×K | 892.78 | Joback Calculated Property |
| Cp,gas | 867.38 | J/mol×K | 928.87 | Joback Calculated Property |
| Cp,gas | 881.14 | J/mol×K | 964.97 | Joback Calculated Property |
| Cp,gas | 893.84 | J/mol×K | 1001.07 | Joback Calculated Property |
| Cp,gas | 905.53 | J/mol×K | 1037.17 | Joback Calculated Property |
| Cp,gas | 916.29 | J/mol×K | 1073.26 | Joback Calculated Property |
Similar Compounds
Sources
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