- InChI
- InChI=1S/C7H12/c1-3-5-7-6-4-2/h5H,1,4,6-7H2,2H3
- InChI Key
- OEMWTWLQGRYBGM-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=C=CCCCC
- Molecular Weight1
- 96.17
- CAS
- 2384-90-9
- Other Names
-
- Butylallene
- 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).
- 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 | 0.2985 | Relay (1.0) Calculated Property | |
| ΔfG° | 224.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 376.90 ± 4.00 | K | NIST |
| Tc | 544.71 | K | Relay (1.0) Calculated Property |
| Tfus | 163.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.373 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.18; 229.02] | J/mol×K | [359.51; 537.66] | 
|
| Cp,gas | 173.18 | J/mol×K | 359.51 | Joback Calculated Property |
| Cp,gas | 183.32 | J/mol×K | 389.20 | Joback Calculated Property |
| Cp,gas | 193.12 | J/mol×K | 418.89 | Joback Calculated Property |
| Cp,gas | 202.59 | J/mol×K | 448.58 | Joback Calculated Property |
| Cp,gas | 211.73 | J/mol×K | 478.28 | Joback Calculated Property |
| Cp,gas | 220.54 | J/mol×K | 507.97 | Joback Calculated Property |
| Cp,gas | 229.02 | J/mol×K | 537.66 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [284.42; 398.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57638e+01 | |||
| Coefficient B | -3.68343e+03 | |||
| Coefficient C | -4.64150e+01 | |||
| Temperature range, min. | 284.42 | |||
| Temperature range, max. | 398.82 | |||
| Pvap | 1.33 | kPa | 284.42 | Calculated Property |
| Pvap | 2.92 | kPa | 297.13 | Calculated Property |
| Pvap | 5.94 | kPa | 309.84 | Calculated Property |
| Pvap | 11.30 | kPa | 322.55 | Calculated Property |
| Pvap | 20.32 | kPa | 335.26 | Calculated Property |
| Pvap | 34.79 | kPa | 347.98 | Calculated Property |
| Pvap | 57.02 | kPa | 360.69 | Calculated Property |
| Pvap | 89.92 | kPa | 373.40 | Calculated Property |
| Pvap | 137.07 | kPa | 386.11 | Calculated Property |
| Pvap | 202.67 | kPa | 398.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-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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