- InChI
- InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3
- InChI Key
- CJSBUWDGPXGFGA-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- C=CC=C(C)C
- Molecular Weight1
- 82.14
- CAS
- 926-56-7
- Other Names
-
- (CH3)2C=CHCH=CH2
- 1,3-Pentadiene, 4-methyl-
- 4-methylpenta-1,3-diene
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| 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 |
| IE | [8.25; 8.29] | eV |
|
| IE | 8.26 ± 0.05 | eV | NIST |
| IE | 8.29 | eV | NIST |
| IE | 8.28 ± 0.02 | eV | NIST |
| IE | 8.25 | eV | NIST |
| 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 | [609.00; 642.00] |
|
|
| Inp | 629.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 629.60 | NIST | |
| Inp | 628.70 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | Outlier 609.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 628.00 | NIST | |
| I | [746.00; 796.00] |
|
|
| I | 777.00 | NIST | |
| I | 746.00 | NIST | |
| I | 796.00 | NIST | |
| Tboil | [347.00; 350.00] | K |
|
| Tboil | 349.70 | K | NIST |
| Tboil | 347.00 ± 2.00 | K | NIST |
| Tboil | 349.00 ± 2.00 | K | NIST |
| Tboil | 349.45 ± 0.60 | K | NIST |
| Tboil | 350.00 ± 2.00 | K | NIST |
| Tc | 517.19 | K | Joback Calculated Property |
| Tfus | 203.00 ± 15.00 | K | NIST |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [253.53; 374.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38441e+01 | |||
| Coefficient B | -2.77744e+03 | |||
| Coefficient C | -4.86470e+01 | |||
| Temperature range, min. | 253.53 | |||
| Temperature range, max. | 374.16 | |||
| Pvap | 1.33 | kPa | 253.53 | Calculated Property |
| Pvap | 3.07 | kPa | 266.93 | Calculated Property |
| Pvap | 6.40 | kPa | 280.34 | Calculated Property |
| Pvap | 12.33 | kPa | 293.74 | Calculated Property |
| Pvap | 22.19 | kPa | 307.14 | Calculated Property |
| Pvap | 37.68 | kPa | 320.55 | Calculated Property |
| Pvap | 60.89 | kPa | 333.95 | Calculated Property |
| Pvap | 94.24 | kPa | 347.35 | Calculated Property |
| Pvap | 140.49 | kPa | 360.76 | Calculated Property |
| Pvap | 202.67 | kPa | 374.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-1,3-pentadiene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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