- InChI
- InChI=1S/C14H16O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9H,1,10-11H2,2H3/b9-8+
- InChI Key
- BJUYLTVRBQUZIH-CMDGGOBGSA-N
- Formula
- C14H16O2
- SMILES
- C=C(C)CCOC(=O)C=Cc1ccccc1
- Molecular Weight1
- 216.28
- CAS
- 327620-55-3
- 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° | 105.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.209 | Crippen Calculated Property | |
| McVol | 183.200 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | [1747.00; 1758.10] |
|
|
| Inp | 1747.00 | NIST | |
| Inp | 1747.00 | NIST | |
| Inp | 1758.10 | NIST | |
| Inp | 1758.10 | NIST | |
| Tboil | 623.41 | K | Joback Calculated Property |
| Tc | 839.06 | K | Joback Calculated Property |
| Tfus | 325.32 | K | Joback Calculated Property |
| Vc | 0.698 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.34; 530.27] | J/mol×K | [623.41; 839.06] |
|
| Cp,gas | 451.34 | J/mol×K | 623.41 | Joback Calculated Property |
| Cp,gas | 466.81 | J/mol×K | 659.35 | Joback Calculated Property |
| Cp,gas | 481.29 | J/mol×K | 695.29 | Joback Calculated Property |
| Cp,gas | 494.82 | J/mol×K | 731.24 | Joback Calculated Property |
| Cp,gas | 507.46 | J/mol×K | 767.18 | Joback Calculated Property |
| Cp,gas | 519.26 | J/mol×K | 803.12 | Joback Calculated Property |
| Cp,gas | 530.27 | J/mol×K | 839.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-3-en-1-yl cinnamate.
Sources
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