- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4-
- InChI Key
- APPOKADJQUIAHP-GLIMQPGKSA-N
- Formula
- C6H10
- SMILES
- CC=CC=CC
- Molecular Weight1
- 82.14
- CAS
- 6108-61-8
- Other Names
-
- (2Z,4Z)-2,4-Hexadiene
- (Z),(Z)-CH3CH=CHCH=CHCH3
- (Z,Z)-2,4-HEXADIENE
- 2,4-Hexadiene, (Z,Z)-
- cis,cis-2,4-Hexadiene
- cis-2,cis-4-Hexadiene
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.2406 | Relay (1.0) Calculated Property | |
| ΔfG° | 160.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 52.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 11.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.18; 8.27] | eV |
|
| IE | 8.18 ± 0.02 | eV | NIST |
| IE | 8.27 | eV | NIST |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [646.00; 661.30] |
|
|
| Inp | 661.00 | NIST | |
| Inp | 660.40 | NIST | |
| Inp | 661.30 | NIST | |
| Inp | 646.00 | NIST | |
| Tboil | 358.08 ± 0.20 | K | NIST |
| Tc | 524.92 | K | Relay (1.0) Calculated Property |
| Tfus | 203.78 ± 0.40 | K | NIST |
| Vc | 0.327 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.76; 267.71] | 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 | -3.09300e+01 | |||
| Coefficient B | 6.13840e-01 | |||
| Coefficient C | -4.70200e-04 | |||
| Coefficient D | 1.55000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 134.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 159.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 181.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 200.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 217.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 231.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 244.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 256.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 267.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007952; 0.0001289] | Pa×s | [203.78; 369.12] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11995e+01 | |||
| Coefficient B | 8.27880e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 203.78 | |||
| Temperature range, max. | 369.12 | |||
| η | 0.0007952 | Pa×s | 203.78 | Calculated Property |
| η | 0.0005683 | Pa×s | 222.15 | Calculated Property |
| η | 0.0004275 | Pa×s | 240.52 | Calculated Property |
| η | 0.0003349 | Pa×s | 258.89 | Calculated Property |
| η | 0.0002709 | Pa×s | 277.26 | Calculated Property |
| η | 0.0002251 | Pa×s | 295.64 | Calculated Property |
| η | 0.0001910 | Pa×s | 314.01 | Calculated Property |
| η | 0.0001651 | Pa×s | 332.38 | Calculated Property |
| η | 0.0001449 | Pa×s | 350.75 | Calculated Property |
| η | 0.0001289 | Pa×s | 369.12 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [256.76; 384.26] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34840e+01 | |||
| Coefficient B | -2.73711e+03 | |||
| Coefficient C | -4.93500e+01 | |||
| Temperature range, min. | 256.76 | |||
| Temperature range, max. | 384.26 | |||
| Pvap | 1.33 | kPa | 256.76 | Calculated Property |
| Pvap | 3.10 | kPa | 270.93 | Calculated Property |
| Pvap | 6.51 | kPa | 285.09 | Calculated Property |
| Pvap | 12.57 | kPa | 299.26 | Calculated Property |
| Pvap | 22.63 | kPa | 313.43 | Calculated Property |
| Pvap | 38.36 | kPa | 327.59 | Calculated Property |
| Pvap | 61.78 | kPa | 341.76 | Calculated Property |
| Pvap | 95.21 | kPa | 355.93 | Calculated Property |
| Pvap | 141.23 | kPa | 370.09 | Calculated Property |
| Pvap | 202.63 | kPa | 384.26 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z),(Z)-2,4-Hexadiene.
Sources
- 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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