- InChI
- InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
- InChI Key
- RBGFLIOXJWFKKX-VMPITWQZSA-N
- Formula
- C9H16O2
- SMILES
- CC=C(C)C(=O)OCCCC
- Molecular Weight1
- 156.22
- CAS
- 7785-66-2
- Other Names
-
- 2-Butenoic acid, 2-methyl-, butyl ester, (E)-
- Butyl tiglate
- Butyl «alpha»-methylcrotonate
- Tiglic acid n-butyl ester
- Butyl (E)-2-methylbut-2-enoate
- Butyl 2-methyl-2-butenoate
- butyl 2-methylcrotonate
- 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).
- 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° | -137.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Inp | [1116.00; 1136.00] |
|
|
| Inp | 1134.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1116.00 | NIST | |
| I | [1417.00; 1419.00] |
|
|
| I | 1417.00 | NIST | |
| I | 1419.00 | NIST | |
| Tboil | 485.65 | K | Joback Calculated Property |
| Tc | 670.48 | K | Joback Calculated Property |
| Tfus | 244.31 | K | Joback Calculated Property |
| Vc | 0.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.90; 376.43] | J/mol×K | [485.65; 670.48] |
|
| Cp,gas | 305.90 | J/mol×K | 485.65 | Joback Calculated Property |
| Cp,gas | 319.01 | J/mol×K | 516.46 | Joback Calculated Property |
| Cp,gas | 331.57 | J/mol×K | 547.26 | Joback Calculated Property |
| Cp,gas | 343.57 | J/mol×K | 578.07 | Joback Calculated Property |
| Cp,gas | 355.04 | J/mol×K | 608.87 | Joback Calculated Property |
| Cp,gas | 365.99 | J/mol×K | 639.68 | Joback Calculated Property |
| Cp,gas | 376.43 | J/mol×K | 670.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Butyl tiglate.
Sources
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