- InChI
- InChI=1S/C11H18O3/c1-3-4-5-6-9-14-11(13)8-7-10(2)12/h4-5H,3,6-9H2,1-2H3/b5-4-
- InChI Key
- WVABNTSULPSDJL-PLNGDYQASA-N
- Formula
- C11H18O3
- SMILES
- CCC=CCCOC(=O)CCC(C)=O
- Molecular Weight1
- 198.26
- CAS
- 85554-70-7
- Other Names
-
- (Z)-hex-3-enyl 4-oxovalerate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | -240.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 2.255 | Crippen Calculated Property | |
| McVol | 170.560 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| I | 2064.00 | NIST | |
| Tboil | 585.40 | K | Joback Calculated Property |
| Tc | 771.66 | K | Joback Calculated Property |
| Tfus | 330.74 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.97; 491.33] | J/mol×K | [585.40; 771.66] | 
|
| Cp,gas | 418.97 | J/mol×K | 585.40 | Joback Calculated Property |
| Cp,gas | 432.59 | J/mol×K | 616.44 | Joback Calculated Property |
| Cp,gas | 445.57 | J/mol×K | 647.49 | Joback Calculated Property |
| Cp,gas | 457.91 | J/mol×K | 678.53 | Joback Calculated Property |
| Cp,gas | 469.64 | J/mol×K | 709.57 | Joback Calculated Property |
| Cp,gas | 480.78 | J/mol×K | 740.61 | Joback Calculated Property |
| Cp,gas | 491.33 | J/mol×K | 771.66 | Joback Calculated Property |
| η | [0.0001829; 0.0023365] | Pa×s | [330.74; 585.40] |
|
| η | 0.0023365 | Pa×s | 330.74 | Joback Calculated Property |
| η | 0.0012003 | Pa×s | 373.18 | Joback Calculated Property |
| η | 0.0007065 | Pa×s | 415.63 | Joback Calculated Property |
| η | 0.0004588 | Pa×s | 458.07 | Joback Calculated Property |
| η | 0.0003205 | Pa×s | 500.51 | Joback Calculated Property |
| η | 0.0002369 | Pa×s | 542.96 | Joback Calculated Property |
| η | 0.0001829 | Pa×s | 585.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-hexenyl levulinate.
Sources
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