- InChI
- InChI=1S/C21H35NO3/c1-15(2)5-4-8-25-20(24)7-3-6-19(23)22-21-12-16-9-17(13-21)11-18(10-16)14-21/h15-18H,3-14H2,1-2H3,(H,22,23)
- InChI Key
- LATJHADXTYAOIH-UHFFFAOYSA-N
- Formula
- C21H35NO3
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)NC12CC3C
C(CC(C3)C1)C2 - Molecular Weight1
- 349.51
- 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 | 0.8510 | Relay (... Calculated Property | |
| ΔfG° | 7.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.75 | eV | Relay (... Calculated Property |
| log10WS | -5.29 | Relay (... Calculated Property | |
| logPoct/wat | 4.221 | Crippen Calculated Property | |
| McVol | 293.160 | ml/mol | McGowan Calculated Property |
| Pc | 1395.41 | kPa | Joback Calculated Property |
| Inp | 2774.00 | NIST | |
| Tboil | 665.14 | K | Relay (... Calculated Property |
| Tc | 923.97 | K | Relay (... Calculated Property |
| Tfus | 446.42 | K | Relay (... Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1020.63; 1145.56] | J/mol×K | [879.83; 1090.89] | 
|
| Cp,gas | 1020.63 | J/mol×K | 879.83 | Joback Calculated Property |
| Cp,gas | 1041.78 | J/mol×K | 915.01 | Joback Calculated Property |
| Cp,gas | 1062.56 | J/mol×K | 950.18 | Joback Calculated Property |
| Cp,gas | 1083.14 | J/mol×K | 985.36 | Joback Calculated Property |
| Cp,gas | 1103.70 | J/mol×K | 1020.54 | Joback Calculated Property |
| Cp,gas | 1124.45 | J/mol×K | 1055.71 | Joback Calculated Property |
| Cp,gas | 1145.56 | J/mol×K | 1090.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(1-adamantyl)-, isohexyl ester.
Sources
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