- InChI
- InChI=1S/C8H14O2/c1-4-8(9)10-6-5-7(2)3/h2,4-6H2,1,3H3
- InChI Key
- NBDVVMVSROFBBF-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=C(C)CCOC(=O)CC
- Molecular Weight1
- 142.20
- 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).
- 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° | -138.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Inp | 958.00 | NIST | |
| I | 1252.00 | NIST | |
| Tboil | 455.29 | K | Joback Calculated Property |
| Tc | 637.18 | K | Joback Calculated Property |
| Tfus | 236.36 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.99; 327.16] | J/mol×K | [455.29; 637.18] | 
|
| Cp,gas | 262.99 | J/mol×K | 455.29 | Joback Calculated Property |
| Cp,gas | 274.81 | J/mol×K | 485.61 | Joback Calculated Property |
| Cp,gas | 286.17 | J/mol×K | 515.92 | Joback Calculated Property |
| Cp,gas | 297.08 | J/mol×K | 546.24 | Joback Calculated Property |
| Cp,gas | 307.54 | J/mol×K | 576.55 | Joback Calculated Property |
| Cp,gas | 317.57 | J/mol×K | 606.87 | Joback Calculated Property |
| Cp,gas | 327.16 | J/mol×K | 637.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-3-butenyl propanoate.
Sources
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