- InChI
- InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3/b8-7-,10-5+
- InChI Key
- UEDNMMNLPZRYMI-GBLFQTLVSA-N
- Formula
- C11H18O2
- SMILES
- CC=C(C)C(=O)OCC=CCCC
- Molecular Weight1
- 182.26
- 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.
- I : 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° | -40.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 2.852 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1297.00; 1322.00] |
|
|
| Inp | 1322.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1322.00 | NIST | |
| I | [1647.00; 1688.00] |
|
|
| I | Outlier 1647.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1688.00 | NIST | |
| Tboil | 535.57 | K | Joback Calculated Property |
| Tc | 724.37 | K | Joback Calculated Property |
| Tfus | 261.77 | K | Joback Calculated Property |
| Vc | 0.636 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.03; 455.65] | J/mol×K | [535.57; 724.37] |
|
| Cp,gas | 379.03 | J/mol×K | 535.57 | Joback Calculated Property |
| Cp,gas | 393.47 | J/mol×K | 567.04 | Joback Calculated Property |
| Cp,gas | 407.20 | J/mol×K | 598.50 | Joback Calculated Property |
| Cp,gas | 420.25 | J/mol×K | 629.97 | Joback Calculated Property |
| Cp,gas | 432.66 | J/mol×K | 661.44 | Joback Calculated Property |
| Cp,gas | 444.45 | J/mol×K | 692.91 | Joback Calculated Property |
| Cp,gas | 455.65 | J/mol×K | 724.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-Hexenyl tiglate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.