- InChI
- InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h9-10H,4-8,11-20H2,1-3H3/b10-9-
- InChI Key
- YVTATXSYTQAQAB-KTKRTIGZSA-N
- Formula
- C22H41NO
- SMILES
-
CCCCCCC=CCCCCCCCCCC1=NC(C)(C)C
O1 - Molecular Weight1
- 335.57
- 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° | 296.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.30 | kJ/mol | Joback Calculated Property |
| log10WS | -7.64 | Crippen Calculated Property | |
| logPoct/wat | 7.231 | Crippen Calculated Property | |
| McVol | 317.230 | ml/mol | McGowan Calculated Property |
| Pc | 1082.06 | kPa | Joback Calculated Property |
| Inp | 2311.50 | NIST | |
| Tboil | 807.23 | K | Joback Calculated Property |
| Tc | 1001.28 | K | Joback Calculated Property |
| Tfus | 478.81 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.00; 1154.95] | J/mol×K | [807.23; 1001.28] | 
|
| Cp,gas | 1032.00 | J/mol×K | 807.23 | Joback Calculated Property |
| Cp,gas | 1054.08 | J/mol×K | 839.57 | Joback Calculated Property |
| Cp,gas | 1075.38 | J/mol×K | 871.91 | Joback Calculated Property |
| Cp,gas | 1096.01 | J/mol×K | 904.26 | Joback Calculated Property |
| Cp,gas | 1116.07 | J/mol×K | 936.60 | Joback Calculated Property |
| Cp,gas | 1135.68 | J/mol×K | 968.94 | Joback Calculated Property |
| Cp,gas | 1154.95 | J/mol×K | 1001.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Vaccenic acid, 4,4-dimethyloxazoline (dmox) derivative.
Sources
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