- InChI
- InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
- InChI Key
- OSMAJVWUIUORGC-WAYWQWQTSA-N
- Formula
- C10H18O2
- SMILES
- CCC=CCCOC(=O)C(C)C
- Molecular Weight1
- 170.25
- CAS
- 41519-23-7
- Other Names
-
- Propanoic acid, 2-methyl-, 3-hexenyl ester, (Z)-
- ENT 33348
- «beta»,«gamma»-Hexenyl isobutanoate
- (Z)-3-hexenyl 2-methylpropanoate
- cis-3-Hexenyl 2-methylbutyrate
- (Z)-3-Hexenyl isobutanoate
- (Z)-Hex-3-enyl isobutyrate
- (Z)-Hex-3-en-1-yl isobutyrate
- 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° | -122.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.542 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [1142.00; 1145.30] |
|
|
| Inp | 1145.30 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1145.30 | NIST | |
| I | [1385.00; 1482.00] |
|
|
| I | 1385.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1385.00 | NIST | |
| Tboil | 508.21 | K | Joback Calculated Property |
| Tc | 691.70 | K | Joback Calculated Property |
| Tfus | 254.54 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.97; 427.02] | J/mol×K | [508.21; 691.70] |
|
| Cp,gas | 350.97 | J/mol×K | 508.21 | Joback Calculated Property |
| Cp,gas | 365.14 | J/mol×K | 538.79 | Joback Calculated Property |
| Cp,gas | 378.69 | J/mol×K | 569.37 | Joback Calculated Property |
| Cp,gas | 391.64 | J/mol×K | 599.96 | Joback Calculated Property |
| Cp,gas | 404.00 | J/mol×K | 630.54 | Joback Calculated Property |
| Cp,gas | 415.79 | J/mol×K | 661.12 | Joback Calculated Property |
| Cp,gas | 427.02 | J/mol×K | 691.70 | Joback Calculated Property |
| η | [0.0001776; 0.0043796] | Pa×s | [254.54; 508.21] |
|
| η | 0.0043796 | Pa×s | 254.54 | Joback Calculated Property |
| η | 0.0017548 | Pa×s | 296.82 | Joback Calculated Property |
| η | 0.0008832 | Pa×s | 339.10 | Joback Calculated Property |
| η | 0.0005176 | Pa×s | 381.38 | Joback Calculated Property |
| η | 0.0003375 | Pa×s | 423.65 | Joback Calculated Property |
| η | 0.0002378 | Pa×s | 465.93 | Joback Calculated Property |
| η | 0.0001776 | Pa×s | 508.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Hexenyl iso-butyrate.
Sources
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