- InChI
- InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
- InChI Key
- AIQLNKITFBJPFO-WAYWQWQTSA-N
- Formula
- C11H20O2
- SMILES
- CCC=CCCOC(=O)CC(C)C
- Molecular Weight1
- 184.28
- CAS
- 35154-45-1
- Other Names
-
- Isovaleric acid cis-3-hexenyl ester
- Butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-
- Isovaleric acid, 3-hexenyl ester, (Z)-
- AI3-35966
- cis-3-Hexenyl 3-methylbutanoate
- (3Z)-3-Hexenyl 3-methylbutanoate
- (Z)-3-Hexenyl 3-methylbutanoate
- (Z)-3-Hexenyl isopentanoate
- (Z)-3-Hexenyl isovalerate
- (Z)-hex-3-enyl isovalerate
- 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).
- 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° | -114.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.932 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [1217.00; 1245.00] |
|
|
| Inp | 1235.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1218.10 | NIST | |
| Inp | 1237.20 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1237.20 | NIST | |
| Inp | 1218.00 | NIST | |
| I | [1440.00; 1494.00] |
|
|
| I | 1440.00 | NIST | |
| I | 1494.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1494.00 | NIST | |
| Tboil | 531.09 | K | Joback Calculated Property |
| Tc | 712.68 | K | Joback Calculated Property |
| Tfus | 265.81 | K | Joback Calculated Property |
| Vc | 0.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.61; 477.89] | J/mol×K | [531.09; 712.68] |
|
| Cp,gas | 397.61 | J/mol×K | 531.09 | Joback Calculated Property |
| Cp,gas | 412.58 | J/mol×K | 561.36 | Joback Calculated Property |
| Cp,gas | 426.88 | J/mol×K | 591.62 | Joback Calculated Property |
| Cp,gas | 440.55 | J/mol×K | 621.89 | Joback Calculated Property |
| Cp,gas | 453.60 | J/mol×K | 652.15 | Joback Calculated Property |
| Cp,gas | 466.04 | J/mol×K | 682.42 | Joback Calculated Property |
| Cp,gas | 477.89 | J/mol×K | 712.68 | Joback Calculated Property |
| η | [0.0001638; 0.0042170] | Pa×s | [265.81; 531.09] |
|
| η | 0.0042170 | Pa×s | 265.81 | Joback Calculated Property |
| η | 0.0016682 | Pa×s | 310.02 | Joback Calculated Property |
| η | 0.0008318 | Pa×s | 354.24 | Joback Calculated Property |
| η | 0.0004840 | Pa×s | 398.45 | Joback Calculated Property |
| η | 0.0003138 | Pa×s | 442.66 | Joback Calculated Property |
| η | 0.0002201 | Pa×s | 486.88 | Joback Calculated Property |
| η | 0.0001638 | Pa×s | 531.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Hexenyl isovalerate.
Sources
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