- InChI
- InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
- InChI Key
- DSFNTAVCWZDPEB-VOTSOKGWSA-N
- Formula
- C10H18O2
- SMILES
- CCCC=CCOC(=O)C(C)C
- Molecular Weight1
- 170.25
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4733 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -488.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.542 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | 1152.00 | NIST | |
| I | [1390.00; 1393.00] |
|
|
| I | 1391.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1393.00 | NIST | |
| I | 1390.00 | NIST | |
| Tboil | 444.71 | K | Relay (1.0) Calculated Property |
| Tc | 637.60 | K | Relay (1.0) Calculated Property |
| Tfus | 187.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.15; 422.66] | J/mol×K | [490.34; 670.93] |
|
| Cp,gas | 345.15 | J/mol×K | 490.34 | Joback Calculated Property |
| Cp,gas | 359.64 | J/mol×K | 520.44 | Joback Calculated Property |
| Cp,gas | 373.49 | J/mol×K | 550.54 | Joback Calculated Property |
| Cp,gas | 386.70 | J/mol×K | 580.63 | Joback Calculated Property |
| Cp,gas | 399.28 | J/mol×K | 610.73 | Joback Calculated Property |
| Cp,gas | 411.26 | J/mol×K | 640.83 | Joback Calculated Property |
| Cp,gas | 422.66 | J/mol×K | 670.93 | Joback Calculated Property |
| η | [0.0001658; 0.0089776] | Pa×s | [224.71; 490.34] |
|
| η | 0.0089776 | Pa×s | 224.71 | Joback Calculated Property |
| η | 0.0026696 | Pa×s | 268.98 | Joback Calculated Property |
| η | 0.0011184 | Pa×s | 313.25 | Joback Calculated Property |
| η | 0.0005812 | Pa×s | 357.52 | Joback Calculated Property |
| η | 0.0003489 | Pa×s | 401.80 | Joback Calculated Property |
| η | 0.0002318 | Pa×s | 446.07 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 490.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Hexenyl isobutyrate.
Sources
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