- InChI
- InChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6-12H,2-5H2,1H3/b10-7+
- InChI Key
- PNLSTDKQAPNMDU-JXMROGBWSA-N
- Formula
- C13H18
- SMILES
- CCCCCC=Cc1ccccc1
- Molecular Weight1
- 174.28
- CAS
- 10201-58-8
- 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 | 0.4376 | Relay (1.0) Calculated Property | |
| ΔfG° | 251.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.280 | Crippen Calculated Property | |
| McVol | 165.970 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | 1406.00 | NIST | |
| Tboil | 516.42 | K | Relay (1.0) Calculated Property |
| Tc | 713.85 | K | Relay (1.0) Calculated Property |
| Tfus | 241.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.619 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.00; 540.90] | 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 | -5.70160e+01 | |||
| Coefficient B | 1.17992e+00 | |||
| Coefficient C | -7.98400e-04 | |||
| Coefficient D | 2.16400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 322.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 368.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 408.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 442.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 472.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 498.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 521.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 540.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035385; 0.0001785] | Pa×s | [257.61; 513.47] |
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 | -1.16383e+01 | |||
| Coefficient B | 1.54418e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 257.61 | |||
| Temperature range, max. | 513.47 | |||
| η | 0.0035385 | Pa×s | 257.61 | Calculated Property |
| η | 0.0019503 | Pa×s | 286.04 | Calculated Property |
| η | 0.0011971 | Pa×s | 314.47 | Calculated Property |
| η | 0.0007968 | Pa×s | 342.90 | Calculated Property |
| η | 0.0005644 | Pa×s | 371.32 | Calculated Property |
| η | 0.0004199 | Pa×s | 399.75 | Calculated Property |
| η | 0.0003249 | Pa×s | 428.18 | Calculated Property |
| η | 0.0002596 | Pa×s | 456.61 | Calculated Property |
| η | 0.0002129 | Pa×s | 485.04 | Calculated Property |
| η | 0.0001785 | Pa×s | 513.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-heptenyl-, (E).
Sources
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