- InChI
- InChI=1S/C10H16O3/c1-8(11)5-6-10(2,3)7-9(12)13-4/h5-6H,7H2,1-4H3/b6-5+
- InChI Key
- DSMOCXGKAYMOCG-AATRIKPKSA-N
- Formula
- C10H16O3
- SMILES
- COC(=O)CC(C)(C)C=CC(C)=O
- Molecular Weight1
- 184.23
- CAS
- 89722-21-4
- Other Names
-
- Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -246.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 1.721 | Crippen Calculated Property | |
| McVol | 156.470 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [1233.00; 1233.00] |
|
|
| Inp | 1233.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Tboil | 559.29 | K | Joback Calculated Property |
| Tc | 758.53 | K | Joback Calculated Property |
| Tfus | 321.89 | K | Joback Calculated Property |
| Vc | 0.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.46; 445.40] | J/mol×K | [559.29; 758.53] |
|
| Cp,gas | 374.46 | J/mol×K | 559.29 | Joback Calculated Property |
| Cp,gas | 388.12 | J/mol×K | 592.50 | Joback Calculated Property |
| Cp,gas | 401.00 | J/mol×K | 625.70 | Joback Calculated Property |
| Cp,gas | 413.13 | J/mol×K | 658.91 | Joback Calculated Property |
| Cp,gas | 424.56 | J/mol×K | 692.11 | Joback Calculated Property |
| Cp,gas | 435.30 | J/mol×K | 725.32 | Joback Calculated Property |
| Cp,gas | 445.40 | J/mol×K | 758.53 | Joback Calculated Property |
| η | [0.0001843; 0.0028749] | Pa×s | [321.89; 559.29] |
|
| η | 0.0028749 | Pa×s | 321.89 | Joback Calculated Property |
| η | 0.0014156 | Pa×s | 361.46 | Joback Calculated Property |
| η | 0.0008016 | Pa×s | 401.02 | Joback Calculated Property |
| η | 0.0005028 | Pa×s | 440.59 | Joback Calculated Property |
| η | 0.0003405 | Pa×s | 480.16 | Joback Calculated Property |
| η | 0.0002447 | Pa×s | 519.72 | Joback Calculated Property |
| η | 0.0001843 | Pa×s | 559.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptenoic acid, 3,3-dimethyl-6-oxo-, methyl ester.
Sources
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