- InChI
- InChI=1S/C10H18O2/c1-6-8(2)9(11)12-7-10(3,4)5/h6H,7H2,1-5H3/b8-6+
- InChI Key
- CBFZVDUBQXGOSX-SOFGYWHQSA-N
- Formula
- C10H18O2
- SMILES
- CC=C(C)C(=O)OCC(C)(C)C
- Molecular Weight1
- 170.25
- 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° | -126.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.542 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Inp | 1128.00 | NIST | |
| Tboil | 505.30 | K | Joback Calculated Property |
| Tc | 699.32 | K | Joback Calculated Property |
| Tfus | 258.00 | K | Joback Calculated Property |
| Vc | 0.590 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.60; 432.86] | J/mol×K | [505.30; 699.32] | 
|
| Cp,gas | 353.60 | J/mol×K | 505.30 | Joback Calculated Property |
| Cp,gas | 368.69 | J/mol×K | 537.64 | Joback Calculated Property |
| Cp,gas | 382.99 | J/mol×K | 569.97 | Joback Calculated Property |
| Cp,gas | 396.52 | J/mol×K | 602.31 | Joback Calculated Property |
| Cp,gas | 409.32 | J/mol×K | 634.65 | Joback Calculated Property |
| Cp,gas | 421.42 | J/mol×K | 666.98 | Joback Calculated Property |
| Cp,gas | 432.86 | J/mol×K | 699.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neopentyl (E)-2-methylbut-2-enoate.
Sources
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