- InChI
- InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3
- InChI Key
- TYOOXFQTUDXXCL-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=C(C)CCOC(=O)CC(C)C
- Molecular Weight1
- 170.25
- CAS
- 54410-94-5
- Other Names
-
- 3-Methyl-3-buten-1-yl 3-methylbutanoate
- 3-Methyl-3-butenyl isovalerate
- 3-Methyl-but-3-enyl isovalerate
- 3-Methylbutanoic acid, 3-methyl-3-butenyl ester
- 3-Methyl butanoate, 3-methyl-3-butenyl
- 3-Methyl-3-butenyl 3-methyl butanoate
- 3-methylbut-3-en-1-yl 3-methylbutanoate
- 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° | -123.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.542 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [1115.00; 1122.00] |
|
|
| Inp | 1115.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Inp | Outlier 1122.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1115.00 | NIST | |
| I | [1372.00; 1379.00] |
|
|
| I | 1372.00 | NIST | |
| I | 1379.00 | NIST | |
| Tboil | 500.61 | K | Joback Calculated Property |
| Tc | 682.86 | K | Joback Calculated Property |
| Tfus | 243.90 | K | Joback Calculated Property |
| Vc | 0.596 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.92; 426.29] | J/mol×K | [500.61; 682.86] |
|
| Cp,gas | 349.92 | J/mol×K | 500.61 | Joback Calculated Property |
| Cp,gas | 364.09 | J/mol×K | 530.98 | Joback Calculated Property |
| Cp,gas | 377.66 | J/mol×K | 561.36 | Joback Calculated Property |
| Cp,gas | 390.66 | J/mol×K | 591.73 | Joback Calculated Property |
| Cp,gas | 403.09 | J/mol×K | 622.11 | Joback Calculated Property |
| Cp,gas | 414.96 | J/mol×K | 652.48 | Joback Calculated Property |
| Cp,gas | 426.29 | J/mol×K | 682.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-methyl-, 3-methyl-3-butenyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.