- InChI
- InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3
- InChI Key
- IKQUUYYDRTYXAP-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- C=CC(C)C=C
- Molecular Weight1
- 82.14
- CAS
- 1115-08-8
- Other Names
-
- 3-Methyl-1,4-pentadiene
- 3-methylpenta-1,4-diene
- CH2=CHCH(CH3)CH=CH2
- 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).
- 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.
- 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° | 172.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 78.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.22 | kJ/mol | Joback Calculated Property |
| IE | 9.40 ± 0.05 | eV | NIST |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.994 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Inp | [531.00; 546.00] |
|
|
| Inp | 531.00 | NIST | |
| Inp | 532.00 | NIST | |
| Inp | 534.00 | NIST | |
| Inp | 534.00 | NIST | |
| Inp | 532.00 | NIST | |
| Inp | Outlier 546.00 | NIST | |
| Tboil | [322.77; 329.20] | K |
|
| Tboil | 329.20 | K | NIST |
| Tboil | 322.77 ± 0.50 | K | NIST |
| Tc | 504.04 | K | Joback Calculated Property |
| Tfus | 138.86 | K | Joback Calculated Property |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.85; 184.59] | J/mol×K | [329.60; 504.04] |
|
| Cp,gas | 132.85 | J/mol×K | 329.60 | Joback Calculated Property |
| Cp,gas | 142.48 | J/mol×K | 358.67 | Joback Calculated Property |
| Cp,gas | 151.69 | J/mol×K | 387.75 | Joback Calculated Property |
| Cp,gas | 160.49 | J/mol×K | 416.82 | Joback Calculated Property |
| Cp,gas | 168.90 | J/mol×K | 445.89 | Joback Calculated Property |
| Cp,gas | 176.93 | J/mol×K | 474.97 | Joback Calculated Property |
| Cp,gas | 184.59 | J/mol×K | 504.04 | Joback Calculated Property |
| η | [0.0002010; 0.0052504] | Pa×s | [138.86; 329.60] |
|
| η | 0.0052504 | Pa×s | 138.86 | Joback Calculated Property |
| η | 0.0018368 | Pa×s | 170.65 | Joback Calculated Property |
| η | 0.0008937 | Pa×s | 202.44 | Joback Calculated Property |
| η | 0.0005287 | Pa×s | 234.23 | Joback Calculated Property |
| η | 0.0003546 | Pa×s | 266.02 | Joback Calculated Property |
| η | 0.0002590 | Pa×s | 297.81 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 329.60 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [238.48; 352.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38731e+01 | |||
| Coefficient B | -2.63391e+03 | |||
| Coefficient C | -4.46000e+01 | |||
| Temperature range, min. | 238.48 | |||
| Temperature range, max. | 352.24 | |||
| Pvap | 1.33 | kPa | 238.48 | Calculated Property |
| Pvap | 3.06 | kPa | 251.12 | Calculated Property |
| Pvap | 6.39 | kPa | 263.76 | Calculated Property |
| Pvap | 12.31 | kPa | 276.40 | Calculated Property |
| Pvap | 22.15 | kPa | 289.04 | Calculated Property |
| Pvap | 37.62 | kPa | 301.68 | Calculated Property |
| Pvap | 60.81 | kPa | 314.32 | Calculated Property |
| Pvap | 94.15 | kPa | 326.96 | Calculated Property |
| Pvap | 140.42 | kPa | 339.60 | Calculated Property |
| Pvap | 202.64 | kPa | 352.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Pentadiene, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.