- InChI
- InChI=1S/C8H16O/c1-5-6-8(9-4)7(2)3/h6-7H,5H2,1-4H3/b8-6-
- InChI Key
- KLLLUNXXSVCGMP-VURMDHGXSA-N
- Formula
- C8H16O
- SMILES
- CCC=C(OC)C(C)C
- Molecular Weight1
- 128.21
- CAS
- 66017-21-8
- 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).
- 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° | -19.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 2.583 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Tboil | 408.46 | K | Joback Calculated Property |
| Tc | 587.94 | K | Joback Calculated Property |
| Tfus | 168.11 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.59; 313.81] | J/mol×K | [408.46; 587.94] | 
|
| Cp,gas | 242.59 | J/mol×K | 408.46 | Joback Calculated Property |
| Cp,gas | 255.70 | J/mol×K | 438.37 | Joback Calculated Property |
| Cp,gas | 268.30 | J/mol×K | 468.29 | Joback Calculated Property |
| Cp,gas | 280.40 | J/mol×K | 498.20 | Joback Calculated Property |
| Cp,gas | 292.01 | J/mol×K | 528.12 | Joback Calculated Property |
| Cp,gas | 303.14 | J/mol×K | 558.03 | Joback Calculated Property |
| Cp,gas | 313.81 | J/mol×K | 587.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 3-methoxy-2-methyl-, (Z)-.
Sources
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