- InChI
- InChI=1S/C21H33NO3/c1-3-5-7-11-18-25-21(24)16-12-15-20(23)22(17-6-4-2)19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-18H2,1-2H3
- InChI Key
- ATRODHSZNSDEAS-UHFFFAOYSA-N
- Formula
- C21H33NO3
- SMILES
-
CCCCCCOC(=O)CCCC(=O)N(CCCC)c1c
cccc1 - Molecular Weight1
- 347.49
- 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° | -13.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.56 | kJ/mol | Joback Calculated Property |
| log10WS | -5.46 | Crippen Calculated Property | |
| logPoct/wat | 5.114 | Crippen Calculated Property | |
| McVol | 301.980 | ml/mol | McGowan Calculated Property |
| Pc | 1279.16 | kPa | Joback Calculated Property |
| Inp | 2543.00 | NIST | |
| Tboil | 849.16 | K | Joback Calculated Property |
| Tc | 1048.11 | K | Joback Calculated Property |
| Tfus | 507.41 | K | Joback Calculated Property |
| Vc | 1.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.52; 1036.23] | J/mol×K | [849.16; 1048.11] | 
|
| Cp,gas | 950.52 | J/mol×K | 849.16 | Joback Calculated Property |
| Cp,gas | 967.43 | J/mol×K | 882.32 | Joback Calculated Property |
| Cp,gas | 983.23 | J/mol×K | 915.48 | Joback Calculated Property |
| Cp,gas | 997.96 | J/mol×K | 948.64 | Joback Calculated Property |
| Cp,gas | 1011.67 | J/mol×K | 981.79 | Joback Calculated Property |
| Cp,gas | 1024.41 | J/mol×K | 1014.95 | Joback Calculated Property |
| Cp,gas | 1036.23 | J/mol×K | 1048.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, hexyl ester.
Sources
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