- InChI
- InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3
- InChI Key
- OCUAPVNNQFAQSM-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=C(C)CCOC(C)=O
- Molecular Weight1
- 128.17
- CAS
- 5205-07-2
- Other Names
-
- 3-Buten-1-ol, 3-methyl-, acetate
- Acetic acid, 3-methylbut-3-enyl ester
- 3-Buten-1-ol, 3-methyl-, 1-acetate
- 3-Methyl-3-butenyl acetate
- 1-Acetoxy-3-methyl-3-butene
- 3-Methyl-3-buten- 1-yl acetate
- 3-methylbut-3-enyl acetate
- 3-methylbut-3-en-1-yl acetate
- 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° | -146.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.74 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Inp | [856.00; 888.00] |
|
|
| Inp | 872.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 883.30 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 864.00 | NIST | |
| I | [1180.00; 1190.00] |
|
|
| I | 1182.00 | NIST | |
| I | 1190.00 | NIST | |
| I | 1180.00 | NIST | |
| Tboil | 432.41 | K | Joback Calculated Property |
| Tc | 615.89 | K | Joback Calculated Property |
| Tfus | 225.09 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.80; 280.72] | J/mol×K | [432.41; 615.89] |
|
| Cp,gas | 222.80 | J/mol×K | 432.41 | Joback Calculated Property |
| Cp,gas | 233.44 | J/mol×K | 462.99 | Joback Calculated Property |
| Cp,gas | 243.68 | J/mol×K | 493.57 | Joback Calculated Property |
| Cp,gas | 253.52 | J/mol×K | 524.15 | Joback Calculated Property |
| Cp,gas | 262.97 | J/mol×K | 554.73 | Joback Calculated Property |
| Cp,gas | 272.04 | J/mol×K | 585.31 | Joback Calculated Property |
| Cp,gas | 280.72 | J/mol×K | 615.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3-buten-1-ol, acetate.
Sources
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