- InChI
- InChI=1S/C9H16/c1-4-6-7-8-9(3)5-2/h4-5,9H,1-2,6-8H2,3H3
- InChI Key
- LFXNEGVBUADMEB-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- C=CCCCC(C)C=C
- Molecular Weight1
- 124.22
- Other Names
-
- 1,7-Octadiene, 3-methyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 198.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 16.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 3.165 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [821.00; 830.00] |
|
|
| Inp | 821.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | Outlier 830.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 821.00 | NIST | |
| Tboil | 398.24 | K | Joback Calculated Property |
| Tc | 571.80 | K | Joback Calculated Property |
| Tfus | 172.67 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.06; 314.64] | J/mol×K | [398.24; 571.80] |
|
| Cp,gas | 242.06 | J/mol×K | 398.24 | Joback Calculated Property |
| Cp,gas | 255.55 | J/mol×K | 427.17 | Joback Calculated Property |
| Cp,gas | 268.46 | J/mol×K | 456.09 | Joback Calculated Property |
| Cp,gas | 280.80 | J/mol×K | 485.02 | Joback Calculated Property |
| Cp,gas | 292.60 | J/mol×K | 513.95 | Joback Calculated Property |
| Cp,gas | 303.88 | J/mol×K | 542.87 | Joback Calculated Property |
| Cp,gas | 314.64 | J/mol×K | 571.80 | Joback Calculated Property |
| η | [0.0002258; 0.0074402] | Pa×s | [172.67; 398.24] |
|
| η | 0.0074402 | Pa×s | 172.67 | Joback Calculated Property |
| η | 0.0024687 | Pa×s | 210.27 | Joback Calculated Property |
| η | 0.0011447 | Pa×s | 247.86 | Joback Calculated Property |
| η | 0.0006499 | Pa×s | 285.46 | Joback Calculated Property |
| η | 0.0004209 | Pa×s | 323.05 | Joback Calculated Property |
| η | 0.0002985 | Pa×s | 360.64 | Joback Calculated Property |
| η | 0.0002258 | Pa×s | 398.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-1,7-octadiene.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.