- InChI
- InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
- InChI Key
- GWYPDXLJACEENP-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- C1=CCCCC=C1
- Molecular Weight1
- 94.15
- CAS
- 4054-38-0
- Other Names
-
- Cyclohepta-1,3-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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.1792 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 68.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.31; 8.40] | eV |
|
| IE | 8.40 | eV | NIST |
| IE | 8.31 ± 0.03 | eV | NIST |
| IE | 8.31 | eV | NIST |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.283 | Crippen Calculated Property | |
| McVol | 90.030 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Inp | [796.00; 831.00] |
|
|
| Inp | 820.30 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 820.30 | NIST | |
| Inp | 804.00 | NIST | |
| Ip | [1060.00; 1060.00] |
|
|
| Ip | 1060.00 | NIST | |
| Ip | 1060.00 | NIST | |
| Ip | 1060.00 | NIST | |
| Tboil | 393.70 | K | NIST |
| Tc | 579.32 | K | Relay (1.0) Calculated Property |
| Tfus | 162.75 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.313 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.75; 298.06] | 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 | -6.45800e+01 | |||
| Coefficient B | 6.95800e-01 | |||
| Coefficient C | -4.21560e-04 | |||
| Coefficient D | 8.84000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 95.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 132.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 165.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 194.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 219.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 240.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 259.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 274.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 287.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0307472; 0.0001785] | Pa×s | [162.75; 422.38] |
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 | -1.18590e+01 | |||
| Coefficient B | 1.36337e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 162.75 | |||
| Temperature range, max. | 422.38 | |||
| η | 0.0307472 | Pa×s | 162.75 | Calculated Property |
| η | 0.0087105 | Pa×s | 191.60 | Calculated Property |
| η | 0.0034327 | Pa×s | 220.44 | Calculated Property |
| η | 0.0016781 | Pa×s | 249.29 | Calculated Property |
| η | 0.0009517 | Pa×s | 278.14 | Calculated Property |
| η | 0.0006004 | Pa×s | 306.99 | Calculated Property |
| η | 0.0004100 | Pa×s | 335.83 | Calculated Property |
| η | 0.0002974 | Pa×s | 364.68 | Calculated Property |
| η | 0.0002261 | Pa×s | 393.53 | Calculated Property |
| η | 0.0001785 | Pa×s | 422.38 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cycloheptadiene.
Sources
- 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
- McGowan Method
- NIST Webbook
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