- InChI
- InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-2,5,7H,3-4,6H2
- InChI Key
- HQGYGGZHZWXFSI-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- C1=CCCC=CC1
- Molecular Weight1
- 94.16
- 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.
- 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 | 0.1771 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 128.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 ± 0.03 | eV | NIST |
| log10WS | -2.54 | 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 | 784.00 | NIST | |
| Tboil | 384.15 | K | Relay (1.0) Calculated Property |
| Tc | 557.85 | K | Relay (1.0) Calculated Property |
| Tfus | 204.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.316 | 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 | [0.0148277; 0.0001785] | Pa×s | [178.27; 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 | |||
| Temperature range, min. | 178.27 | |||
| Temperature range, max. | 422.38 | |||
| η | 0.0148277 | Pa×s | 178.27 | Calculated Property |
| η | 0.0054010 | Pa×s | 205.39 | Calculated Property |
| η | 0.0024900 | Pa×s | 232.52 | Calculated Property |
| η | 0.0013495 | Pa×s | 259.64 | Calculated Property |
| η | 0.0008213 | Pa×s | 286.76 | Calculated Property |
| η | 0.0005446 | Pa×s | 313.88 | Calculated Property |
| η | 0.0003855 | Pa×s | 341.01 | Calculated Property |
| η | 0.0002871 | Pa×s | 368.13 | Calculated Property |
| η | 0.0002227 | Pa×s | 395.25 | Calculated Property |
| η | 0.0001785 | Pa×s | 422.38 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Cycloheptadiene.
Sources
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