- InChI
- InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3H,1,4-9H2,2H3
- InChI Key
- YLSXHHJLLXESHB-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=CCCCCOC(=O)CCC
- Molecular Weight1
- 170.25
- CAS
- 108058-75-9
- Other Names
-
- 5-Hexenyl butyrate
- 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° | -112.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | [1183.00; 1183.00] |
|
|
| Inp | 1183.00 | NIST | |
| Inp | 1183.00 | NIST | |
| I | [1456.00; 1470.00] |
|
|
| I | 1470.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1462.00 | NIST | |
| Tboil | 501.17 | K | Joback Calculated Property |
| Tc | 676.68 | K | Joback Calculated Property |
| Tfus | 272.86 | K | Joback Calculated Property |
| Vc | 0.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.85; 423.57] | J/mol×K | [501.17; 676.68] |
|
| Cp,gas | 349.85 | J/mol×K | 501.17 | Joback Calculated Property |
| Cp,gas | 363.46 | J/mol×K | 530.42 | Joback Calculated Property |
| Cp,gas | 376.52 | J/mol×K | 559.67 | Joback Calculated Property |
| Cp,gas | 389.06 | J/mol×K | 588.93 | Joback Calculated Property |
| Cp,gas | 401.07 | J/mol×K | 618.18 | Joback Calculated Property |
| Cp,gas | 412.57 | J/mol×K | 647.43 | Joback Calculated Property |
| Cp,gas | 423.57 | J/mol×K | 676.68 | Joback Calculated Property |
| η | [0.0002268; 0.0030420] | Pa×s | [272.86; 501.17] |
|
| η | 0.0030420 | Pa×s | 272.86 | Joback Calculated Property |
| η | 0.0015143 | Pa×s | 310.91 | Joback Calculated Property |
| η | 0.0008777 | Pa×s | 348.96 | Joback Calculated Property |
| η | 0.0005663 | Pa×s | 387.01 | Joback Calculated Property |
| η | 0.0003952 | Pa×s | 425.07 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 463.12 | Joback Calculated Property |
| η | 0.0002268 | Pa×s | 501.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 5-hexenyl ester.
Sources
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