- InChI
- InChI=1S/C15H22O2/c1-11(2)7-8-14(9-12(3)4)17-15(16)10-13(5)6/h10,12,14H,1,9H2,2-6H3
- InChI Key
- YIGBVEXDZVDCJX-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)C=C(C)
C - Molecular Weight1
- 234.33
- 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° | 190.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 3.490 | Crippen Calculated Property | |
| McVol | 212.450 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [1521.00; 1521.00] |
|
|
| Inp | 1521.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Tboil | 627.61 | K | Joback Calculated Property |
| Tc | 834.21 | K | Joback Calculated Property |
| Tfus | 372.31 | K | Joback Calculated Property |
| Vc | 0.812 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.59; 628.55] | J/mol×K | [627.61; 834.21] |
|
| Cp,gas | 538.59 | J/mol×K | 627.61 | Joback Calculated Property |
| Cp,gas | 555.77 | J/mol×K | 662.04 | Joback Calculated Property |
| Cp,gas | 572.03 | J/mol×K | 696.48 | Joback Calculated Property |
| Cp,gas | 587.40 | J/mol×K | 730.91 | Joback Calculated Property |
| Cp,gas | 601.92 | J/mol×K | 765.34 | Joback Calculated Property |
| Cp,gas | 615.62 | J/mol×K | 799.78 | Joback Calculated Property |
| Cp,gas | 628.55 | J/mol×K | 834.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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