- InChI
- InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3
- InChI Key
- BOGRNZQRTNVZCZ-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- C=CC(C)=CC
- Molecular Weight1
- 82.14
- CAS
- 4549-74-0
- Other Names
-
- 3-Methyl-1,3-pentadiene
- CH3CH=C(CH3)CH=CH2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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.
- 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 |
|---|---|---|---|
| PAff | 852.30 | kJ/mol | NIST |
| BasG | 823.40 | kJ/mol | NIST |
| ΔfG° | 159.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 65.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.32 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Inp | [606.00; 647.00] |
|
|
| Inp | 647.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 647.00 | NIST | |
| I | [756.00; 787.00] |
|
|
| I | 787.00 | NIST | |
| I | 756.00 | NIST | |
| Tboil | [348.00; 351.00] | K |
|
| Tboil | 350.20 | K | NIST |
| Tboil | 350.00 ± 4.00 | K | NIST |
| Tboil | 348.00 ± 3.00 | K | NIST |
| Tboil | 351.00 ± 4.00 | K | NIST |
| Tboil | 351.00 ± 2.00 | K | NIST |
| Tc | 517.19 | K | Joback Calculated Property |
| Tfus | 136.58 | K | Joback Calculated Property |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.16; 184.75] | J/mol×K | [337.40; 517.19] |
|
| Cp,gas | 132.16 | J/mol×K | 337.40 | Joback Calculated Property |
| Cp,gas | 142.08 | J/mol×K | 367.36 | Joback Calculated Property |
| Cp,gas | 151.51 | J/mol×K | 397.33 | Joback Calculated Property |
| Cp,gas | 160.47 | J/mol×K | 427.29 | Joback Calculated Property |
| Cp,gas | 168.98 | J/mol×K | 457.26 | Joback Calculated Property |
| Cp,gas | 177.07 | J/mol×K | 487.22 | Joback Calculated Property |
| Cp,gas | 184.75 | J/mol×K | 517.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Pentadiene, 3-methyl-.
Sources
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