- InChI
- InChI=1S/C11H20O3/c1-9(2)7-11(12)14-8-10(3)5-6-13-4/h7,10H,5-6,8H2,1-4H3
- InChI Key
- HUBXSBGOYZNBHQ-UHFFFAOYSA-N
- Formula
- C11H20O3
- SMILES
- COCCC(C)COC(=O)C=C(C)C
- Molecular Weight1
- 200.27
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5920 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.168 | Crippen Calculated Property | |
| McVol | 174.860 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | 1421.00 | NIST | |
| Tboil | 515.02 | K | Relay (1.0) Calculated Property |
| Tc | 688.94 | K | Relay (1.0) Calculated Property |
| Tfus | 222.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.80; 503.99] | J/mol×K | [553.39; 737.01] | 
|
| Cp,gas | 423.80 | J/mol×K | 553.39 | Joback Calculated Property |
| Cp,gas | 438.71 | J/mol×K | 583.99 | Joback Calculated Property |
| Cp,gas | 452.99 | J/mol×K | 614.60 | Joback Calculated Property |
| Cp,gas | 466.65 | J/mol×K | 645.20 | Joback Calculated Property |
| Cp,gas | 479.70 | J/mol×K | 675.80 | Joback Calculated Property |
| Cp,gas | 492.14 | J/mol×K | 706.41 | Joback Calculated Property |
| Cp,gas | 503.99 | J/mol×K | 737.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-2-enoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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