- InChI
- InChI=1S/C7H12O2/c1-4-6(2)5-9-7(3)8/h4H,5H2,1-3H3/b6-4+/i1D3,2D3,4D
- InChI Key
- LYFIKZOWBKYNSE-YWLCVOABSA-N
- Formula
- C7H5D7O2
- SMILES
- CC=C(C)COC(C)=O
- Molecular Weight1
- 135.21
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3895 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| I | 1253.00 | NIST | |
| Tboil | 421.35 | K | Relay (1.0) Calculated Property |
| Tc | 601.55 | K | Relay (1.0) Calculated Property |
| Tfus | 198.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.36; 278.82] | J/mol×K | [422.02; 606.97] | 
|
| Cp,gas | 218.36 | J/mol×K | 422.02 | Joback Calculated Property |
| Cp,gas | 229.64 | J/mol×K | 452.85 | Joback Calculated Property |
| Cp,gas | 240.43 | J/mol×K | 483.67 | Joback Calculated Property |
| Cp,gas | 250.72 | J/mol×K | 514.50 | Joback Calculated Property |
| Cp,gas | 260.55 | J/mol×K | 545.32 | Joback Calculated Property |
| Cp,gas | 269.91 | J/mol×K | 576.15 | Joback Calculated Property |
| Cp,gas | 278.82 | J/mol×K | 606.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-2-butenyl-d-7 acetate.
Sources
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