- InChI
- InChI=1S/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5H,2,6-7H2,1,3-4H3/b9-5+
- InChI Key
- LMPCYQLIAVCCCL-WEVVVXLNSA-N
- Formula
- C10H16O2
- SMILES
- C=C(C)CCOC(=O)C(C)=CC
- Molecular Weight1
- 168.23
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4791 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.462 | Crippen Calculated Property | |
| McVol | 150.600 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | 1203.00 | NIST | |
| I | [1528.00; 1545.00] |
|
|
| I | 1528.00 | NIST | |
| I | 1545.00 | NIST | |
| Tboil | 475.90 | K | Relay (1.0) Calculated Property |
| Tc | 657.01 | K | Relay (1.0) Calculated Property |
| Tfus | 216.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.18; 404.83] | J/mol×K | [505.09; 694.94] |
|
| Cp,gas | 332.18 | J/mol×K | 505.09 | Joback Calculated Property |
| Cp,gas | 345.83 | J/mol×K | 536.73 | Joback Calculated Property |
| Cp,gas | 358.83 | J/mol×K | 568.37 | Joback Calculated Property |
| Cp,gas | 371.21 | J/mol×K | 600.02 | Joback Calculated Property |
| Cp,gas | 382.99 | J/mol×K | 631.66 | Joback Calculated Property |
| Cp,gas | 394.19 | J/mol×K | 663.30 | Joback Calculated Property |
| Cp,gas | 404.83 | J/mol×K | 694.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-3-enyl (E)-2-methylbut-2-enoate.
Sources
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