- InChI
- InChI=1S/C20H36O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,16H,5-12,14-15,17H2,1-4H3/b19-16+
- InChI Key
- ICAWXCQTUNYABR-KNTRCKAVSA-N
- Formula
- C20H36O2
- SMILES
-
CCCCCCCCCC(=O)OCC=C(C)CCC=C(C)
C - Molecular Weight1
- 308.50
- CAS
- 10471-94-0
- 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° | 26.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.76 | Crippen Calculated Property | |
| logPoct/wat | 6.363 | Crippen Calculated Property | |
| McVol | 291.500 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | [2151.30; 2151.30] |
|
|
| Inp | 2151.30 | NIST | |
| Inp | 2151.30 | NIST | |
| Tboil | 741.37 | K | Joback Calculated Property |
| Tc | 922.37 | K | Joback Calculated Property |
| Tfus | 349.24 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.42; 962.05] | J/mol×K | [741.37; 922.37] |
|
| Cp,gas | 861.42 | J/mol×K | 741.37 | Joback Calculated Property |
| Cp,gas | 880.33 | J/mol×K | 771.54 | Joback Calculated Property |
| Cp,gas | 898.33 | J/mol×K | 801.70 | Joback Calculated Property |
| Cp,gas | 915.45 | J/mol×K | 831.87 | Joback Calculated Property |
| Cp,gas | 931.75 | J/mol×K | 862.04 | Joback Calculated Property |
| Cp,gas | 947.27 | J/mol×K | 892.21 | Joback Calculated Property |
| Cp,gas | 962.05 | J/mol×K | 922.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dien-1-yl decanoate.
Sources
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