- InChI
- InChI=1S/C8H16O/c1-6(2)8(5)9-7(3)4/h6-7H,5H2,1-4H3
- InChI Key
- NJQBVLZZZOURKA-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- C=C(OC(C)C)C(C)C
- Molecular Weight1
- 128.21
- CAS
- 56544-18-4
- 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).
- 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 | 0.3830 | Relay (... Calculated Property | |
| ΔfG° | -14.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.37 | eV | Relay (... Calculated Property |
| log10WS | -2.35 | Relay (... Calculated Property | |
| logPoct/wat | 2.581 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Tboil | 367.70 | K | Relay (... Calculated Property |
| Tc | 543.79 | K | Relay (... Calculated Property |
| Tfus | 196.29 | K | Relay (... Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.18; 313.84] | J/mol×K | [400.54; 578.95] | 
|
| Cp,gas | 242.18 | J/mol×K | 400.54 | Joback Calculated Property |
| Cp,gas | 255.29 | J/mol×K | 430.27 | Joback Calculated Property |
| Cp,gas | 267.93 | J/mol×K | 460.01 | Joback Calculated Property |
| Cp,gas | 280.10 | J/mol×K | 489.74 | Joback Calculated Property |
| Cp,gas | 291.80 | J/mol×K | 519.48 | Joback Calculated Property |
| Cp,gas | 303.04 | J/mol×K | 549.21 | Joback Calculated Property |
| Cp,gas | 313.84 | J/mol×K | 578.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropoxy-3-methyl-1-butene.
Sources
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