- InChI
- InChI=1S/C19H21NO2/c1-5-6-15(4)18(12-7-14(2)3)22-19(21)17-10-8-16(13-20)9-11-17/h8-11,15,18H,2,5-6H2,1,3-4H3
- InChI Key
- ARBGFWDAVXOGHV-UHFFFAOYSA-N
- Formula
- C19H21NO2
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccc(C#N)cc1
)C(C)CCC - Molecular Weight1
- 295.38
- 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° | 388.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 87.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 4.099 | Crippen Calculated Property | |
| McVol | 250.730 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | 2084.00 | NIST | |
| Tboil | 848.83 | K | Joback Calculated Property |
| Tc | 1080.56 | K | Joback Calculated Property |
| Tfus | 540.36 | K | Joback Calculated Property |
| Vc | 0.974 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.19; 793.53] | J/mol×K | [848.83; 1080.56] | 
|
| Cp,gas | 723.19 | J/mol×K | 848.83 | Joback Calculated Property |
| Cp,gas | 737.54 | J/mol×K | 887.45 | Joback Calculated Property |
| Cp,gas | 750.77 | J/mol×K | 926.07 | Joback Calculated Property |
| Cp,gas | 762.93 | J/mol×K | 964.69 | Joback Calculated Property |
| Cp,gas | 774.08 | J/mol×K | 1003.32 | Joback Calculated Property |
| Cp,gas | 784.26 | J/mol×K | 1041.94 | Joback Calculated Property |
| Cp,gas | 793.53 | J/mol×K | 1080.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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