- InChI
- InChI=1S/C9H16O2/c1-5-6-7-8(10)11-9(2,3)4/h6-7H,5H2,1-4H3/b7-6+
- InChI Key
- RMMULFUBQFKFRL-VOTSOKGWSA-N
- Formula
- C9H16O2
- SMILES
- CCC=CC(=O)OC(C)(C)C
- Molecular Weight1
- 156.22
- CAS
- 81643-03-0
- 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).
- 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° | -125.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.45 | kJ/mol | Joback Calculated Property |
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 2.294 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Tboil | 482.54 | K | Joback Calculated Property |
| Tc | 675.38 | K | Joback Calculated Property |
| Tfus | 260.69 | K | Joback Calculated Property |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.93; 382.59] | J/mol×K | [482.54; 675.38] | 
|
| Cp,gas | 308.93 | J/mol×K | 482.54 | Joback Calculated Property |
| Cp,gas | 322.96 | J/mol×K | 514.68 | Joback Calculated Property |
| Cp,gas | 336.24 | J/mol×K | 546.82 | Joback Calculated Property |
| Cp,gas | 348.82 | J/mol×K | 578.96 | Joback Calculated Property |
| Cp,gas | 360.71 | J/mol×K | 611.10 | Joback Calculated Property |
| Cp,gas | 371.96 | J/mol×K | 643.24 | Joback Calculated Property |
| Cp,gas | 382.59 | J/mol×K | 675.38 | Joback Calculated Property |
| η | [0.0001981; 0.0042842] | Pa×s | [260.69; 482.54] |
|
| η | 0.0042842 | Pa×s | 260.69 | Joback Calculated Property |
| η | 0.0018672 | Pa×s | 297.67 | Joback Calculated Property |
| η | 0.0009777 | Pa×s | 334.64 | Joback Calculated Property |
| η | 0.0005823 | Pa×s | 371.62 | Joback Calculated Property |
| η | 0.0003809 | Pa×s | 408.59 | Joback Calculated Property |
| η | 0.0002674 | Pa×s | 445.56 | Joback Calculated Property |
| η | 0.0001981 | Pa×s | 482.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentenoic acid, 1,1-dimethylethyl ester, (E)-.
Sources
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