- InChI
- InChI=1S/C10H10/c1-2-5-9(6-3-1)10-7-4-8-10/h1-3,5-7H,4,8H2
- InChI Key
- KMWHNPPKABDZMJ-UHFFFAOYSA-N
- Formula
- C10H10
- SMILES
- C1=C(c2ccccc2)CC1
- Molecular Weight1
- 130.19
- CAS
- 3365-26-2
- Other Names
-
- 1-Phenyl-1-cyclobutene
- 1-Phenylcyclobutene
- 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 | 0.3059 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 254.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.20; 8.24] | eV |
|
| IE | 8.24 | eV | NIST |
| IE | 8.20 ± 0.05 | eV | NIST |
| IE | 8.22 | eV | NIST |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.864 | Crippen Calculated Property | |
| McVol | 112.840 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Tboil | 483.44 | K | Relay (1.0) Calculated Property |
| Tc | 697.73 | K | Relay (1.0) Calculated Property |
| Tfus | 228.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.84; 357.23] | 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 | -7.93300e+01 | |||
| Coefficient B | 9.27200e-01 | |||
| Coefficient C | -7.00840e-04 | |||
| Coefficient D | 2.10200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 241.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 292.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 329.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 344.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 357.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021076; 0.0002926] | Pa×s | [260.82; 497.05] |
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 | -1.03170e+01 | |||
| Coefficient B | 1.08366e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 260.82 | |||
| Temperature range, max. | 497.05 | |||
| η | 0.0021076 | Pa×s | 260.82 | Calculated Property |
| η | 0.0014415 | Pa×s | 287.07 | Calculated Property |
| η | 0.0010507 | Pa×s | 313.31 | Calculated Property |
| η | 0.0008042 | Pa×s | 339.56 | Calculated Property |
| η | 0.0006396 | Pa×s | 365.81 | Calculated Property |
| η | 0.0005246 | Pa×s | 392.06 | Calculated Property |
| η | 0.0004410 | Pa×s | 418.30 | Calculated Property |
| η | 0.0003785 | Pa×s | 444.55 | Calculated Property |
| η | 0.0003304 | Pa×s | 470.80 | Calculated Property |
| η | 0.0002926 | Pa×s | 497.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-cyclobuten-1-yl-.
Sources
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