- 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-SREVYHEPSA-N
- Formula
- C10H18O2
- SMILES
- CCC/C=C\COC(=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 | 0.4775 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -468.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | 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 | [1121.00; 1144.00] |
|
|
| Inp | 1144.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1121.00 | NIST | |
| I | [1364.00; 1381.00] |
|
|
| I | 1380.00 | NIST | |
| I | Outlier 1364.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1377.00 | NIST | |
| Tboil | 443.91 | K | Relay (1.0) Calculated Property |
| Tc | 638.65 | K | Relay (1.0) Calculated Property |
| Tfus | 175.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.567 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.64; 513.30] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.34300e+00 | |||
| Coefficient B | 9.24960e-01 | |||
| Coefficient C | -5.12600e-04 | |||
| Coefficient D | 9.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 357.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 452.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 476.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 496.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 513.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0089776; 0.0001924] | Pa×s | [224.71; 469.65] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.20817e+01 | |||
| Coefficient B | 1.65582e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 224.71 | |||
| Temperature range, max. | 469.65 | |||
| η | 0.0089776 | Pa×s | 224.71 | Calculated Property |
| η | 0.0040499 | Pa×s | 251.93 | Calculated Property |
| η | 0.0021337 | Pa×s | 279.14 | Calculated Property |
| η | 0.0012598 | Pa×s | 306.36 | Calculated Property |
| η | 0.0008105 | Pa×s | 333.57 | Calculated Property |
| η | 0.0005574 | Pa×s | 360.79 | Calculated Property |
| η | 0.0004040 | Pa×s | 388.00 | Calculated Property |
| η | 0.0003054 | Pa×s | 415.22 | Calculated Property |
| η | 0.0002390 | Pa×s | 442.43 | Calculated Property |
| η | 0.0001924 | Pa×s | 469.65 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-Hexenyl isobutyrate.
Sources
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