- InChI
- InChI=1S/C19H27NO3/c1-2-3-14-23-19(22)13-7-12-18(21)20-17-11-6-9-15-8-4-5-10-16(15)17/h4-5,8,10,17H,2-3,6-7,9,11-14H2,1H3,(H,20,21)
- InChI Key
- GIVUYJMVHVYEOE-UHFFFAOYSA-N
- Formula
- C19H27NO3
- SMILES
-
CCCCOC(=O)CCCC(=O)NC1CCCc2cccc
c21 - Molecular Weight1
- 317.42
- Other Names
-
- Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, butyl 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 | 0.8421 | Relay (... Calculated Property | |
| ΔfG° | -12.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -3.81 | Relay (... Calculated Property | |
| logPoct/wat | 3.694 | Crippen Calculated Property | |
| McVol | 262.940 | ml/mol | McGowan Calculated Property |
| Pc | 1667.33 | kPa | Joback Calculated Property |
| Inp | 2657.00 | NIST | |
| Tboil | 658.75 | K | Relay (... Calculated Property |
| Tc | 900.52 | K | Relay (... Calculated Property |
| Tfus | 349.92 | K | Relay (... Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [835.89; 915.33] | J/mol×K | [857.12; 1071.21] | 
|
| Cp,gas | 835.89 | J/mol×K | 857.12 | Joback Calculated Property |
| Cp,gas | 851.80 | J/mol×K | 892.80 | Joback Calculated Property |
| Cp,gas | 866.57 | J/mol×K | 928.48 | Joback Calculated Property |
| Cp,gas | 880.24 | J/mol×K | 964.17 | Joback Calculated Property |
| Cp,gas | 892.88 | J/mol×K | 999.85 | Joback Calculated Property |
| Cp,gas | 904.56 | J/mol×K | 1035.53 | Joback Calculated Property |
| Cp,gas | 915.33 | J/mol×K | 1071.21 | Joback Calculated Property |
Similar Compounds
Sources
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