- InChI
- InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h6,8H,5,7H2,1-4H3/b9-6+
- InChI Key
- FALJCIDAIJRLIF-RMKNXTFCSA-N
- Formula
- C9H18
- SMILES
- CCC=C(C)CC(C)C
- Molecular Weight1
- 126.24
- 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° | 94.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2458.04 | kPa | Joback Calculated Property |
| Inp | [821.00; 821.00] |
|
|
| Inp | 821.00 | NIST | |
| Inp | 821.00 | NIST | |
| Tboil | 408.92 | K | Joback Calculated Property |
| Tc | 587.37 | K | Joback Calculated Property |
| Tfus | 157.15 | K | Joback Calculated Property |
| Vc | 0.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.98; 336.58] | J/mol×K | [408.92; 587.37] |
|
| Cp,gas | 257.98 | J/mol×K | 408.92 | Joback Calculated Property |
| Cp,gas | 272.62 | J/mol×K | 438.66 | Joback Calculated Property |
| Cp,gas | 286.61 | J/mol×K | 468.40 | Joback Calculated Property |
| Cp,gas | 299.98 | J/mol×K | 498.14 | Joback Calculated Property |
| Cp,gas | 312.75 | J/mol×K | 527.89 | Joback Calculated Property |
| Cp,gas | 324.94 | J/mol×K | 557.63 | Joback Calculated Property |
| Cp,gas | 336.58 | J/mol×K | 587.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-dimethyl-3-heptene.
Sources
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