- InChI
- InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4-
- InChI Key
- YYJWBYNQJLBIGS-PLNGDYQASA-N
- Formula
- C6H10O2
- SMILES
- CC=C(C)C(=O)OC
- Molecular Weight1
- 114.14
- CAS
- 6622-76-0
- Other Names
-
- Tiglic acid methyl ester
- 2-Butenoic acid, 2-methyl-, methyl ester, (E)-
- Crotonic acid, 2-methyl-, methyl ester, (E)-
- Methyl (E)-2-methylcrotonate
- Methyl trans-2-methyl-2-butenoate
- 2-Carbomethoxy-2-butene, (E)-
- Methyl «alpha»-methylcrotonate, trans-
- Methyl trans-2-methylcrotonate
- Methyl (2E)-2-methyl-2-butenoate
- 2-Methylcrotonic acid, methyl ester, (E)-
- Methyl (E)-2-methyl-2-butenoate
- trans-2,3-Dimethylacrylic acid, methyl ester
- NSC 55277
- 2-Butenoic acid, 2-methyl-, methyl ester, (2E)-
- 2-Methylerotonic acid (Tiglicacid), methyl ester
- Methyl «alpha»-methylcrotonate
- methyl 2-methylcrotonate
- Crotonic acid, 2-methyl-, methyl ester, (Z)-
- Methyl angelate
- Methyl cis-2-methylcrotonate
- Angelic acid, methyl ester
- Methyl (Z)-2-methylbut-2-enoate
- methyl 2-methylisocrotonate
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -162.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Inp | [843.00; 875.70] |
|
|
| Inp | 843.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 875.70 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 875.70 | NIST | |
| Inp | 868.00 | NIST | |
| I | [1188.00; 1195.00] |
|
|
| I | 1190.00 | NIST | |
| I | 1190.00 | NIST | |
| I | 1195.00 | NIST | |
| I | 1188.00 | NIST | |
| Tboil | 417.01 | K | Joback Calculated Property |
| Tc | 607.33 | K | Joback Calculated Property |
| Tfus | 210.50 | K | Joback Calculated Property |
| Vc | 0.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.26; 236.31] | J/mol×K | [417.01; 607.33] |
|
| Cp,gas | 184.26 | J/mol×K | 417.01 | Joback Calculated Property |
| Cp,gas | 193.90 | J/mol×K | 448.73 | Joback Calculated Property |
| Cp,gas | 203.14 | J/mol×K | 480.45 | Joback Calculated Property |
| Cp,gas | 212.00 | J/mol×K | 512.17 | Joback Calculated Property |
| Cp,gas | 220.47 | J/mol×K | 543.89 | Joback Calculated Property |
| Cp,gas | 228.57 | J/mol×K | 575.61 | Joback Calculated Property |
| Cp,gas | 236.31 | J/mol×K | 607.33 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 412.70 | K | 102.00 | NIST |
Similar Compounds
Find more compounds similar to Methyl tiglate.
Sources
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