- InChI
- InChI=1S/C19H36O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,18H,5-11,13-16H2,1-4H3
- InChI Key
- ULWMBBYWQZNAMT-UHFFFAOYSA-N
- Formula
- C19H36O2
- SMILES
- CCCCCCCCC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 296.49
- CAS
- 72934-18-0
- 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° | -55.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 6.053 | Crippen Calculated Property | |
| McVol | 281.710 | ml/mol | McGowan Calculated Property |
| Pc | 1164.04 | kPa | Joback Calculated Property |
| Inp | [2015.90; 2015.90] |
|
|
| Inp | 2015.90 | NIST | |
| Inp | 2015.90 | NIST | |
| Tboil | 714.01 | K | Joback Calculated Property |
| Tc | 890.48 | K | Joback Calculated Property |
| Tfus | 342.01 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.29; 927.82] | J/mol×K | [714.01; 890.48] |
|
| Cp,gas | 826.29 | J/mol×K | 714.01 | Joback Calculated Property |
| Cp,gas | 845.37 | J/mol×K | 743.42 | Joback Calculated Property |
| Cp,gas | 863.55 | J/mol×K | 772.83 | Joback Calculated Property |
| Cp,gas | 880.86 | J/mol×K | 802.25 | Joback Calculated Property |
| Cp,gas | 897.32 | J/mol×K | 831.66 | Joback Calculated Property |
| Cp,gas | 912.96 | J/mol×K | 861.07 | Joback Calculated Property |
| Cp,gas | 927.82 | J/mol×K | 890.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Dimethyloct-6-en-1-yl nonanoate.
Sources
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