- InChI
- InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4,6H,1,5,7H2,2H3
- InChI Key
- ZGXMNEKDFYUNDQ-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=CCCC=CC
- Molecular Weight1
- 96.17
- CAS
- 1541-23-7
- Other Names
-
- Hepta-1,5-diene
- 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).
- 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 | 0.2431 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 364.37 | K | Relay (1.0) Calculated Property |
| Tc | 531.68 | K | Relay (1.0) Calculated Property |
| Tfus | 152.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.370 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.57; 225.80] | J/mol×K | [360.40; 536.35] | 
|
| Cp,gas | 166.57 | J/mol×K | 360.40 | Joback Calculated Property |
| Cp,gas | 177.68 | J/mol×K | 389.72 | Joback Calculated Property |
| Cp,gas | 188.27 | J/mol×K | 419.05 | Joback Calculated Property |
| Cp,gas | 198.35 | J/mol×K | 448.37 | Joback Calculated Property |
| Cp,gas | 207.96 | J/mol×K | 477.70 | Joback Calculated Property |
| Cp,gas | 217.10 | J/mol×K | 507.02 | Joback Calculated Property |
| Cp,gas | 225.80 | J/mol×K | 536.35 | Joback Calculated Property |
| η | [0.0001889; 0.0037899] | Pa×s | [161.81; 360.40] |
|
| η | 0.0037899 | Pa×s | 161.81 | Joback Calculated Property |
| η | 0.0015040 | Pa×s | 194.91 | Joback Calculated Property |
| η | 0.0007806 | Pa×s | 228.01 | Joback Calculated Property |
| η | 0.0004784 | Pa×s | 261.11 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 294.20 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 327.30 | Joback Calculated Property |
| η | 0.0001889 | Pa×s | 360.40 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [275.22; 389.42] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55181e+01 | |||
| Coefficient B | -3.53351e+03 | |||
| Coefficient C | -4.32180e+01 | |||
| Temperature range, min. | 275.22 | |||
| Temperature range, max. | 389.42 | |||
| Pvap | 1.33 | kPa | 275.22 | Calculated Property |
| Pvap | 2.94 | kPa | 287.91 | Calculated Property |
| Pvap | 5.99 | kPa | 300.60 | Calculated Property |
| Pvap | 11.41 | kPa | 313.29 | Calculated Property |
| Pvap | 20.52 | kPa | 325.98 | Calculated Property |
| Pvap | 35.10 | kPa | 338.66 | Calculated Property |
| Pvap | 57.44 | kPa | 351.35 | Calculated Property |
| Pvap | 90.40 | kPa | 364.04 | Calculated Property |
| Pvap | 137.45 | kPa | 376.73 | Calculated Property |
| Pvap | 202.67 | kPa | 389.42 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Heptadiene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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