- InChI
- InChI=1S/C17H25NO3/c1-13(2)12-21-17(20)11-7-10-16(19)18-14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,18,19)
- InChI Key
- OYXHSBZAFSFMFR-UHFFFAOYSA-N
- Formula
- C17H25NO3
- SMILES
-
CC(C)COC(=O)CCCC(=O)NC(C)c1ccc
cc1 - Molecular Weight1
- 291.39
- 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 | 0.7681 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.233 | Crippen Calculated Property | |
| McVol | 245.620 | ml/mol | McGowan Calculated Property |
| Pc | 1763.93 | kPa | Joback Calculated Property |
| Inp | 2271.00 | NIST | |
| Tboil | 609.27 | K | Relay (1.0) Calculated Property |
| Tc | 837.16 | K | Relay (1.0) Calculated Property |
| Tfus | 343.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.24; 812.89] | J/mol×K | [794.49; 1001.84] | 
|
| Cp,gas | 735.24 | J/mol×K | 794.49 | Joback Calculated Property |
| Cp,gas | 750.79 | J/mol×K | 829.05 | Joback Calculated Property |
| Cp,gas | 765.25 | J/mol×K | 863.61 | Joback Calculated Property |
| Cp,gas | 778.65 | J/mol×K | 898.17 | Joback Calculated Property |
| Cp,gas | 791.03 | J/mol×K | 932.73 | Joback Calculated Property |
| Cp,gas | 802.43 | J/mol×K | 967.28 | Joback Calculated Property |
| Cp,gas | 812.89 | J/mol×K | 1001.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(1-phenylethyl)-, isobutyl ester.
Sources
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