- InChI
- InChI=1S/C11H14/c1-2-6-10-8-4-5-9-11(10)7-3-1/h4-5,8-9H,1-3,6-7H2
- InChI Key
- HEOQXHNKRXRCTO-UHFFFAOYSA-N
- Formula
- C11H14
- SMILES
- c1ccc2c(c1)CCCCC2
- Molecular Weight1
- 146.23
- 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 | 0.3213 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.40; 9.10] | eV |
|
| IE | 9.10 ± 0.05 | eV | NIST |
| IE | 8.40 ± 0.02 | eV | NIST |
| IE | 8.44 | eV | NIST |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.956 | Crippen Calculated Property | |
| McVol | 131.230 | ml/mol | McGowan Calculated Property |
| Pc | 3284.05 | kPa | Joback Calculated Property |
| Tboil | 506.98 | K | Relay (1.0) Calculated Property |
| Tc | 734.76 | K | Relay (1.0) Calculated Property |
| Tfus | 268.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.64; 441.90] | 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 | -9.31400e+01 | |||
| Coefficient B | 1.06860e+00 | |||
| Coefficient C | -7.21560e-04 | |||
| Coefficient D | 1.88000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 327.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 357.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 384.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 406.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 425.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035581; 0.0002430] | Pa×s | [267.81; 518.37] |
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 | -1.11908e+01 | |||
| Coefficient B | 1.48695e+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. | 267.81 | |||
| Temperature range, max. | 518.37 | |||
| η | 0.0035581 | Pa×s | 267.81 | Calculated Property |
| η | 0.0021093 | Pa×s | 295.65 | Calculated Property |
| η | 0.0013682 | Pa×s | 323.49 | Calculated Property |
| η | 0.0009506 | Pa×s | 351.33 | Calculated Property |
| η | 0.0006967 | Pa×s | 379.17 | Calculated Property |
| η | 0.0005327 | Pa×s | 407.01 | Calculated Property |
| η | 0.0004216 | Pa×s | 434.85 | Calculated Property |
| η | 0.0003432 | Pa×s | 462.69 | Calculated Property |
| η | 0.0002860 | Pa×s | 490.53 | Calculated Property |
| η | 0.0002430 | Pa×s | 518.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzocycloheptene.
Sources
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