- InChI
- InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-6H,1-3H3/b5-4+
- InChI Key
- PRTJSZPCEHPORP-SNAWJCMRSA-N
- Formula
- C7H12
- SMILES
- CC=CC=C(C)C
- Molecular Weight1
- 96.17
- CAS
- 28823-41-8
- Other Names
-
- 2-Methyl-2,4-hexadiene
- 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).
- Pvap : Vapor 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° | 159.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Inp | [706.00; 751.00] |
|
|
| Inp | 751.00 | NIST | |
| Inp | 706.00 | NIST | |
| Tboil | [380.00; 384.70] | K |
|
| Tboil | 384.70 ± 2.00 | K | NIST |
| Tboil | 380.00 ± 2.00 | K | NIST |
| Tc | 553.14 | K | Joback Calculated Property |
| Tfus | 198.60 ± 2.00 | K | NIST |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.25; 227.85] | J/mol×K | [367.76; 553.14] |
|
| Cp,gas | 166.25 | J/mol×K | 367.76 | Joback Calculated Property |
| Cp,gas | 177.97 | J/mol×K | 398.66 | Joback Calculated Property |
| Cp,gas | 189.07 | J/mol×K | 429.55 | Joback Calculated Property |
| Cp,gas | 199.58 | J/mol×K | 460.45 | Joback Calculated Property |
| Cp,gas | 209.52 | J/mol×K | 491.34 | Joback Calculated Property |
| Cp,gas | 218.94 | J/mol×K | 522.24 | Joback Calculated Property |
| Cp,gas | 227.85 | J/mol×K | 553.14 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [289.22; 420.79] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45188e+01 | |||
| Coefficient B | -3.43167e+03 | |||
| Coefficient C | -4.80830e+01 | |||
| Temperature range, min. | 289.22 | |||
| Temperature range, max. | 420.79 | |||
| Pvap | 1.33 | kPa | 289.22 | Calculated Property |
| Pvap | 3.01 | kPa | 303.84 | Calculated Property |
| Pvap | 6.21 | kPa | 318.46 | Calculated Property |
| Pvap | 11.91 | kPa | 333.08 | Calculated Property |
| Pvap | 21.44 | kPa | 347.70 | Calculated Property |
| Pvap | 36.52 | kPa | 362.31 | Calculated Property |
| Pvap | 59.35 | kPa | 376.93 | Calculated Property |
| Pvap | 92.53 | kPa | 391.55 | Calculated Property |
| Pvap | 139.14 | kPa | 406.17 | Calculated Property |
| Pvap | 202.63 | kPa | 420.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadiene, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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