- InChI
- InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-13-18-16(17)14-15(2)3/h11-12,14H,4-10,13H2,1-3H3/b12-11+
- InChI Key
- DWOVFZMUPZHBTN-VAWYXSNFSA-N
- Formula
- C16H28O2
- SMILES
- CCCCCCCCC=CCOC(=O)C=C(C)C
- Molecular Weight1
- 252.39
- 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° | 1.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.36 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.803 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Inp | [1796.00; 1796.00] |
|
|
| Inp | 1796.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Tboil | 649.97 | K | Joback Calculated Property |
| Tc | 830.08 | K | Joback Calculated Property |
| Tfus | 318.12 | K | Joback Calculated Property |
| Vc | 0.916 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.83; 725.69] | J/mol×K | [649.97; 830.08] |
|
| Cp,gas | 633.83 | J/mol×K | 649.97 | Joback Calculated Property |
| Cp,gas | 651.07 | J/mol×K | 679.99 | Joback Calculated Property |
| Cp,gas | 667.50 | J/mol×K | 710.01 | Joback Calculated Property |
| Cp,gas | 683.13 | J/mol×K | 740.02 | Joback Calculated Property |
| Cp,gas | 698.02 | J/mol×K | 770.04 | Joback Calculated Property |
| Cp,gas | 712.19 | J/mol×K | 800.06 | Joback Calculated Property |
| Cp,gas | 725.69 | J/mol×K | 830.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, undec-2-enyl ester.
Sources
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