- InChI
- InChI=1S/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3
- InChI Key
- CBERZXRMIOEKPW-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- CC(C)=CCOC(=O)C=C(C)C
- Molecular Weight1
- 168.23
- CAS
- 72779-06-7
- Other Names
-
- 3-methylbut-2-en-1-yl 3-methylbut-2-enoate
- 3-methyl-2-butenyl 3-methyl-2-butenoate
- 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° | -57.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.462 | Crippen Calculated Property | |
| McVol | 150.600 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | [1208.00; 1245.00] |
|
|
| Inp | 1245.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1234.70 | NIST | |
| Inp | Outlier 1208.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1234.70 | NIST | |
| Tboil | 512.57 | K | Joback Calculated Property |
| Tc | 707.11 | K | Joback Calculated Property |
| Tfus | 236.54 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.83; 406.04] | J/mol×K | [512.57; 707.11] |
|
| Cp,gas | 332.83 | J/mol×K | 512.57 | Joback Calculated Property |
| Cp,gas | 346.67 | J/mol×K | 544.99 | Joback Calculated Property |
| Cp,gas | 359.82 | J/mol×K | 577.42 | Joback Calculated Property |
| Cp,gas | 372.30 | J/mol×K | 609.84 | Joback Calculated Property |
| Cp,gas | 384.14 | J/mol×K | 642.27 | Joback Calculated Property |
| Cp,gas | 395.38 | J/mol×K | 674.69 | Joback Calculated Property |
| Cp,gas | 406.04 | J/mol×K | 707.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, 3-methylbut-2-enyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.