- InChI
- InChI=1S/C7H6/c1-2-4-7-5-6(7)3-1/h1-4H,5H2
- InChI Key
- AMSMVCOBCOZLEE-UHFFFAOYSA-N
- Formula
- C7H6
- SMILES
- c1ccc2c(c1)C2
- Molecular Weight1
- 90.12
- Other Names
-
- 1,3,5-Norcaratriene
- Benzocyclopropene
- 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).
- 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 | 0.3371 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 155.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.82; 8.82] | eV |
|
| IE | 8.82 | eV | NIST |
| IE | 8.82 | eV | NIST |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.591 | Crippen Calculated Property | |
| McVol | 74.870 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Tboil | 428.54 | K | Relay (1.0) Calculated Property |
| Tc | 644.43 | K | Relay (1.0) Calculated Property |
| Tfus | 262.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.287 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [83.35; 228.42] | 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 | -6.90200e+01 | |||
| Coefficient B | 7.27000e-01 | |||
| Coefficient C | -6.89560e-04 | |||
| Coefficient D | 2.60000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 83.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 138.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 158.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 174.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 187.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 199.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 209.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 218.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 228.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006123; 0.0003782] | Pa×s | [236.81; 426.06] |
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 | -8.48280e+00 | |||
| Coefficient B | 2.56830e+02 | |||
| 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. | 236.81 | |||
| Temperature range, max. | 426.06 | |||
| η | 0.0006123 | Pa×s | 236.81 | Calculated Property |
| η | 0.0005605 | Pa×s | 257.84 | Calculated Property |
| η | 0.0005199 | Pa×s | 278.87 | Calculated Property |
| η | 0.0004874 | Pa×s | 299.89 | Calculated Property |
| η | 0.0004608 | Pa×s | 320.92 | Calculated Property |
| η | 0.0004387 | Pa×s | 341.95 | Calculated Property |
| η | 0.0004200 | Pa×s | 362.98 | Calculated Property |
| η | 0.0004040 | Pa×s | 384.00 | Calculated Property |
| η | 0.0003903 | Pa×s | 405.03 | Calculated Property |
| η | 0.0003782 | Pa×s | 426.06 | Calculated Property |
Similar Compounds
Find more compounds similar to CYCLOPROPABENZENE.
Sources
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