- InChI
- InChI=1S/C11H18/c1-2-4-6-8-10-11-9-7-5-3-1/h1-2,7,9H,3-6,8,10-11H2/b2-1-,9-7+
- InChI Key
- PAJDCTBXRIKSRB-ATTBXNPTSA-N
- Formula
- C11H18
- SMILES
- C1=C/CCCCC/C=C/CC/1
- Molecular Weight1
- 150.27
- 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 | 0.1787 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 69.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.843 | Crippen Calculated Property | |
| McVol | 146.390 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Inp | [1177.60; 1177.60] |
|
|
| Inp | 1177.60 | NIST | |
| Inp | 1177.60 | NIST | |
| Tboil | 490.90 | K | Relay (1.0) Calculated Property |
| Tc | 679.41 | K | Relay (1.0) Calculated Property |
| Tfus | 257.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.04; 511.54] | 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 | -8.87000e+01 | |||
| Coefficient B | 1.03740e+00 | |||
| Coefficient C | -4.53560e-04 | |||
| Coefficient D | 1.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 222.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 327.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 372.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 410.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 444.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 471.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 494.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 511.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1118533; 0.0000711] | Pa×s | [209.27; 515.32] |
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 | -1.45836e+01 | |||
| Coefficient B | 2.59349e+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. | 209.27 | |||
| Temperature range, max. | 515.32 | |||
| η | 0.1118533 | Pa×s | 209.27 | Calculated Property |
| η | 0.0197842 | Pa×s | 243.28 | Calculated Property |
| η | 0.0053520 | Pa×s | 277.28 | Calculated Property |
| η | 0.0019265 | Pa×s | 311.29 | Calculated Property |
| η | 0.0008481 | Pa×s | 345.29 | Calculated Property |
| η | 0.0004325 | Pa×s | 379.30 | Calculated Property |
| η | 0.0002464 | Pa×s | 413.30 | Calculated Property |
| η | 0.0001529 | Pa×s | 447.31 | Calculated Property |
| η | 0.0001015 | Pa×s | 481.31 | Calculated Property |
| η | 0.0000711 | Pa×s | 515.32 | Calculated Property |
Similar Compounds
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