- InChI
- InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3,5,8H2
- InChI Key
- KOSORCNALVBYBP-UHFFFAOYSA-N
- Formula
- C11H12
- SMILES
- C#CCCCc1ccccc1
- Molecular Weight1
- 144.21
- CAS
- 1823-14-9
- Other Names
-
- 5-Phenyl-1-pentyne
- pent-4-ynylbenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.3433 | Relay (1.0) Calculated Property | |
| ΔfG° | 377.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 264.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.643 | Crippen Calculated Property | |
| McVol | 133.490 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Tboil | 487.55 | K | Relay (1.0) Calculated Property |
| Tc | 709.36 | K | Relay (1.0) Calculated Property |
| Tfus | 211.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.474 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.39; 410.62] | 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 | -2.72370e+01 | |||
| Coefficient B | 8.76000e-01 | |||
| Coefficient C | -6.01730e-04 | |||
| Coefficient D | 1.63590e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 170.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 214.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 253.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 362.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 396.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 410.62 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-pentynyl-.
Sources
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