- InChI
- InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3
- InChI Key
- DSAYAFZWRDYBQY-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C=C(C)CCC(=C)C
- Molecular Weight1
- 110.20
- CAS
- 627-58-7
- Other Names
-
- 2,5-Dimethyl-1,5-hexadiene
- 2,5-Dimethylhexa-1,5-diene
- Bimethallyl
- CH2=C(CH3)CH2CH2C(CH3)=CH2
- Dimethallyl
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ω | 0.3148 | Relay (1.0) Calculated Property | |
| ΔfG° | 175.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | [766.00; 818.00] |
|
|
| Inp | 766.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 770.00 | NIST | |
| Tboil | [387.45; 387.60] | K |
|
| Tboil | 387.50 | K | NIST |
| Tboil | Outlier 387.60 ± 1.00 | K | NIST |
| Tboil | 387.50 ± 0.50 | K | NIST |
| Tboil | 387.45 ± 0.50 | K | NIST |
| Tboil | 387.50 ± 0.50 | K | NIST |
| Tboil | 387.45 ± 0.40 | K | NIST |
| Tboil | 387.45 ± 0.50 | K | NIST |
| Tboil | 387.50 ± 1.00 | K | NIST |
| Tc | 557.54 | K | Relay (1.0) Calculated Property |
| Tfus | [197.55; 197.85] | K |
|
| Tfus | Outlier 197.85 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 197.60 ± 0.50 | K | NIST |
| Tfus | 197.55 ± 0.50 | K | NIST |
| Tfus | 197.60 ± 0.50 | K | NIST |
| Tfus | 197.55 ± 0.40 | K | NIST |
| Tfus | 197.55 ± 0.50 | K | NIST |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.80 | kJ/mol | 359.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.88; 374.49] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.74800e+00 | |||
| Coefficient B | 7.23640e-01 | |||
| Coefficient C | -4.61800e-04 | |||
| Coefficient D | 1.22400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 257.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 283.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 306.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 326.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 360.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 374.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [291.46; 410.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55590e+01 | |||
| Coefficient B | -3.70482e+03 | |||
| Coefficient C | -4.88610e+01 | |||
| Temperature range, min. | 291.46 | |||
| Temperature range, max. | 410.40 | |||
| Pvap | 1.33 | kPa | 291.46 | Calculated Property |
| Pvap | 2.93 | kPa | 304.68 | Calculated Property |
| Pvap | 5.98 | kPa | 317.89 | Calculated Property |
| Pvap | 11.39 | kPa | 331.11 | Calculated Property |
| Pvap | 20.49 | kPa | 344.32 | Calculated Property |
| Pvap | 35.05 | kPa | 357.54 | Calculated Property |
| Pvap | 57.37 | kPa | 370.75 | Calculated Property |
| Pvap | 90.32 | kPa | 383.97 | Calculated Property |
| Pvap | 137.39 | kPa | 397.18 | Calculated Property |
| Pvap | 202.68 | kPa | 410.40 | Calculated Property |
| Pvap | [13.43; 99.81] | kPa | [330.15; 388.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 3.94769e+02 | |||
| Coefficient B | -2.04373e+04 | |||
| Coefficient C | -5.79070e+01 | |||
| Coefficient D | 5.10658e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 330.15 | |||
| Temperature range, max. | 388.15 | |||
| Pvap | 13.43 | kPa | 330.15 | Calculated Property |
| Pvap | 17.87 | kPa | 336.59 | Calculated Property |
| Pvap | 23.31 | kPa | 343.04 | Calculated Property |
| Pvap | 29.90 | kPa | 349.48 | Calculated Property |
| Pvap | 37.74 | kPa | 355.93 | Calculated Property |
| Pvap | 46.95 | kPa | 362.37 | Calculated Property |
| Pvap | 57.65 | kPa | 368.82 | Calculated Property |
| Pvap | 69.96 | kPa | 375.26 | Calculated Property |
| Pvap | 83.97 | kPa | 381.71 | Calculated Property |
| Pvap | 99.81 | kPa | 388.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadiene, 2,5-dimethyl-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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