- InChI
- InChI=1S/C11H20O3/c1-8(2)6-5-7-14-11(13)9(3)10(4)12/h8,10,12H,3,5-7H2,1-2,4H3
- InChI Key
- HLNKZECEKFRDQV-UHFFFAOYSA-N
- Formula
- C11H20O3
- SMILES
- C=C(C(=O)OCCCC(C)C)C(C)O
- Molecular Weight1
- 200.27
- 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° | -254.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 1.903 | Crippen Calculated Property | |
| McVol | 174.860 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | [1387.90; 1387.90] |
|
|
| Inp | 1387.90 | NIST | |
| Inp | 1387.90 | NIST | |
| Tboil | 615.23 | K | Joback Calculated Property |
| Tc | 791.51 | K | Joback Calculated Property |
| Tfus | 300.99 | K | Joback Calculated Property |
| Vc | 0.664 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.65; 527.35] | J/mol×K | [615.23; 791.51] |
|
| Cp,gas | 457.65 | J/mol×K | 615.23 | Joback Calculated Property |
| Cp,gas | 470.71 | J/mol×K | 644.61 | Joback Calculated Property |
| Cp,gas | 483.18 | J/mol×K | 673.99 | Joback Calculated Property |
| Cp,gas | 495.06 | J/mol×K | 703.37 | Joback Calculated Property |
| Cp,gas | 506.38 | J/mol×K | 732.75 | Joback Calculated Property |
| Cp,gas | 517.14 | J/mol×K | 762.13 | Joback Calculated Property |
| Cp,gas | 527.35 | J/mol×K | 791.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylpentyl 3-hydroxy-2-methylenebutanoate.
Sources
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