- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-
- InChI Key
- PRBHEGAFLDMLAL-XQRVVYSFSA-N
- Formula
- C6H10
- SMILES
- C=CCC=CC
- Molecular Weight1
- 82.14
- CAS
- 7318-67-4
- Other Names
-
- (4Z)-1,4-Hexadiene
- (Z)-1,4-HEXADIENE
- (Z)-CH2=CHCH2CH=CHCH3
- (Z)-hexa-1,4-diene
- 1,cis-4-Hexadiene
- cis-1,4-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 | 0.1776 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 10.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 ± 0.05 | eV | NIST |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Inp | [585.71; 598.00] |
|
|
| Inp | 587.20 | NIST | |
| Inp | 587.50 | NIST | |
| Inp | 585.71 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 589.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 598.00 | NIST | |
| Inp | 598.00 | NIST | |
| Tboil | 337.10 | K | Relay (1.0) Calculated Property |
| Tc | 506.09 | K | Relay (1.0) Calculated Property |
| Tfus | 153.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.12; 183.93] | J/mol×K | [337.52; 513.57] |
|
| Cp,gas | 132.12 | J/mol×K | 337.52 | Joback Calculated Property |
| Cp,gas | 141.86 | J/mol×K | 366.86 | Joback Calculated Property |
| Cp,gas | 151.13 | J/mol×K | 396.20 | Joback Calculated Property |
| Cp,gas | 159.96 | J/mol×K | 425.54 | Joback Calculated Property |
| Cp,gas | 168.36 | J/mol×K | 454.89 | Joback Calculated Property |
| Cp,gas | 176.34 | J/mol×K | 484.23 | Joback Calculated Property |
| Cp,gas | 183.93 | J/mol×K | 513.57 | Joback Calculated Property |
| η | [0.0001758; 0.0031761] | Pa×s | [150.54; 337.52] |
|
| η | 0.0031761 | Pa×s | 150.54 | Joback Calculated Property |
| η | 0.0012964 | Pa×s | 181.70 | Joback Calculated Property |
| η | 0.0006879 | Pa×s | 212.87 | Joback Calculated Property |
| η | 0.0004292 | Pa×s | 244.03 | Joback Calculated Property |
| η | 0.0002980 | Pa×s | 275.19 | Joback Calculated Property |
| η | 0.0002228 | Pa×s | 306.36 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 337.52 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [245.95; 368.31] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35007e+01 | |||
| Coefficient B | -2.63542e+03 | |||
| Coefficient C | -4.65000e+01 | |||
| Temperature range, min. | 245.95 | |||
| Temperature range, max. | 368.31 | |||
| Pvap | 1.33 | kPa | 245.95 | Calculated Property |
| Pvap | 3.10 | kPa | 259.55 | Calculated Property |
| Pvap | 6.50 | kPa | 273.14 | Calculated Property |
| Pvap | 12.56 | kPa | 286.74 | Calculated Property |
| Pvap | 22.61 | kPa | 300.33 | Calculated Property |
| Pvap | 38.32 | kPa | 313.93 | Calculated Property |
| Pvap | 61.73 | kPa | 327.52 | Calculated Property |
| Pvap | 95.16 | kPa | 341.12 | Calculated Property |
| Pvap | 141.19 | kPa | 354.71 | Calculated Property |
| Pvap | 202.62 | kPa | 368.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Hexadiene, (Z)-.
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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