- InChI
- InChI=1S/C10H18O2/c1-4-5-6-7-10(11)12-8-9(2)3/h4,9H,1,5-8H2,2-3H3
- InChI Key
- CQKOOZOPDPSYIW-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=CCCCC(=O)OCC(C)C
- Molecular Weight1
- 170.25
- 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° | -115.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.95 | 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 | 2306.95 | kPa | Joback Calculated Property |
| I | [1386.00; 1394.00] |
|
|
| I | 1386.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1386.00 | NIST | |
| Tboil | 500.73 | K | Joback Calculated Property |
| Tc | 679.83 | K | Joback Calculated Property |
| Tfus | 257.86 | K | Joback Calculated Property |
| Vc | 0.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.06; 425.43] | J/mol×K | [500.73; 679.83] |
|
| Cp,gas | 350.06 | J/mol×K | 500.73 | Joback Calculated Property |
| Cp,gas | 364.01 | J/mol×K | 530.58 | Joback Calculated Property |
| Cp,gas | 377.40 | J/mol×K | 560.43 | Joback Calculated Property |
| Cp,gas | 390.22 | J/mol×K | 590.28 | Joback Calculated Property |
| Cp,gas | 402.50 | J/mol×K | 620.13 | Joback Calculated Property |
| Cp,gas | 414.23 | J/mol×K | 649.98 | Joback Calculated Property |
| Cp,gas | 425.43 | J/mol×K | 679.83 | Joback Calculated Property |
| η | [0.0002145; 0.0042919] | Pa×s | [257.86; 500.73] |
|
| η | 0.0042919 | Pa×s | 257.86 | Joback Calculated Property |
| η | 0.0018562 | Pa×s | 298.34 | Joback Calculated Property |
| η | 0.0009808 | Pa×s | 338.82 | Joback Calculated Property |
| η | 0.0005939 | Pa×s | 379.29 | Joback Calculated Property |
| η | 0.0003961 | Pa×s | 419.77 | Joback Calculated Property |
| η | 0.0002837 | Pa×s | 460.25 | Joback Calculated Property |
| η | 0.0002145 | Pa×s | 500.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isobutyl 5-hexenoate.
Sources
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