- InChI
- InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- DBGLRAHCYJTYEH-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)=CC(=O)OCCC(C)C
- Molecular Weight1
- 170.25
- CAS
- 56922-73-7
- Other Names
-
- 3-Methyl-2-butenoic acid, 3-methylbutyl ester
- 3-methybutyl 3-methylbut-2-enoate
- isopentyl 3-methyl-2-butenoate
- 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.
- 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° | -131.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.66 | 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 | 2340.56 | kPa | Joback Calculated Property |
| Inp | [1146.00; 1184.00] |
|
|
| Inp | 1146.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Tboil | 508.09 | K | Joback Calculated Property |
| Tc | 694.82 | K | Joback Calculated Property |
| Tfus | 240.58 | K | Joback Calculated Property |
| Vc | 0.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.82; 427.88] | J/mol×K | [508.09; 694.82] |
|
| Cp,gas | 350.82 | J/mol×K | 508.09 | Joback Calculated Property |
| Cp,gas | 365.21 | J/mol×K | 539.21 | Joback Calculated Property |
| Cp,gas | 378.95 | J/mol×K | 570.33 | Joback Calculated Property |
| Cp,gas | 392.08 | J/mol×K | 601.46 | Joback Calculated Property |
| Cp,gas | 404.60 | J/mol×K | 632.58 | Joback Calculated Property |
| Cp,gas | 416.53 | J/mol×K | 663.70 | Joback Calculated Property |
| Cp,gas | 427.88 | J/mol×K | 694.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 3-methyl-, 3-methylbutyl ester.
Sources
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