- InChI
- InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h2,4-7H2,1,3H3
- InChI Key
- QXWHISNFDZLFAV-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- C=C(C)CCOC(=O)CCC
- Molecular Weight1
- 156.22
- Other Names
-
- 3-methyl-but-3-en-1-yl butanoate
- 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° | -129.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | [1047.00; 1063.00] |
|
|
| Inp | 1047.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1047.00 | NIST | |
| I | 1330.00 | NIST | |
| Tboil | 478.17 | K | Joback Calculated Property |
| Tc | 658.40 | K | Joback Calculated Property |
| Tfus | 247.63 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.33; 375.07] | J/mol×K | [478.17; 658.40] |
|
| Cp,gas | 305.33 | J/mol×K | 478.17 | Joback Calculated Property |
| Cp,gas | 318.20 | J/mol×K | 508.21 | Joback Calculated Property |
| Cp,gas | 330.57 | J/mol×K | 538.25 | Joback Calculated Property |
| Cp,gas | 342.43 | J/mol×K | 568.28 | Joback Calculated Property |
| Cp,gas | 353.79 | J/mol×K | 598.32 | Joback Calculated Property |
| Cp,gas | 364.67 | J/mol×K | 628.36 | Joback Calculated Property |
| Cp,gas | 375.07 | J/mol×K | 658.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-3-butenyl butanoate.
Sources
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