- InChI
- InChI=1S/C19H31NO3/c1-13(2)12-23-18(22)5-3-4-17(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h13-16H,3-12H2,1-2H3,(H,20,21)
- InChI Key
- LPGCDOFLVHWFSH-UHFFFAOYSA-N
- Formula
- C19H31NO3
- SMILES
-
CC(C)COC(=O)CCCC(=O)NC12CC3CC(
CC(C3)C1)C2 - Molecular Weight1
- 321.45
- 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 | 0.7835 | Relay (... Calculated Property | |
| ΔfG° | -9.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -848.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.74 | eV | Relay (... Calculated Property |
| log10WS | -4.79 | Relay (... Calculated Property | |
| logPoct/wat | 3.441 | Crippen Calculated Property | |
| McVol | 264.980 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Inp | 2569.00 | NIST | |
| Tboil | 650.71 | K | Relay (... Calculated Property |
| Tc | 905.13 | K | Relay (... Calculated Property |
| Tfus | 457.65 | K | Relay (... Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.45; 1013.54] | J/mol×K | [834.07; 1045.95] | 
|
| Cp,gas | 897.45 | J/mol×K | 834.07 | Joback Calculated Property |
| Cp,gas | 917.47 | J/mol×K | 869.38 | Joback Calculated Property |
| Cp,gas | 936.98 | J/mol×K | 904.70 | Joback Calculated Property |
| Cp,gas | 956.16 | J/mol×K | 940.01 | Joback Calculated Property |
| Cp,gas | 975.19 | J/mol×K | 975.32 | Joback Calculated Property |
| Cp,gas | 994.26 | J/mol×K | 1010.64 | Joback Calculated Property |
| Cp,gas | 1013.54 | J/mol×K | 1045.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(1-adamantyl)-, isobutyl ester.
Sources
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