- InChI
- InChI=1S/C13H24/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h8,11,13H,2-7,9-10,12H2,1H3
- InChI Key
- SYEHHBWQHNEFBN-UHFFFAOYSA-N
- Formula
- C13H24
- SMILES
- CCCCCCCCC1C=CCC1
- Molecular Weight1
- 180.34
- 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 | 0.4912 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.703 | Crippen Calculated Property | |
| McVol | 178.870 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | 1309.00 | NIST | |
| Tboil | 507.60 | K | Relay (1.0) Calculated Property |
| Tc | 688.67 | K | Relay (1.0) Calculated Property |
| Tfus | 229.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.56; 642.01] | 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 | -6.16330e+01 | |||
| Coefficient B | 1.31452e+00 | |||
| Coefficient C | -7.98080e-04 | |||
| Coefficient D | 1.87200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 241.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 311.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 374.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 429.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 478.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 520.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 589.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 617.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 642.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044074; 0.0003033] | Pa×s | [247.93; 487.69] |
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 | -1.08682e+01 | |||
| Coefficient B | 1.34966e+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. | 247.93 | |||
| Temperature range, max. | 487.69 | |||
| η | 0.0044074 | Pa×s | 247.93 | Calculated Property |
| η | 0.0025990 | Pa×s | 274.57 | Calculated Property |
| η | 0.0016827 | Pa×s | 301.21 | Calculated Property |
| η | 0.0011692 | Pa×s | 327.85 | Calculated Property |
| η | 0.0008581 | Pa×s | 354.49 | Calculated Property |
| η | 0.0006576 | Pa×s | 381.13 | Calculated Property |
| η | 0.0005218 | Pa×s | 407.77 | Calculated Property |
| η | 0.0004259 | Pa×s | 434.41 | Calculated Property |
| η | 0.0003559 | Pa×s | 461.05 | Calculated Property |
| η | 0.0003033 | Pa×s | 487.69 | Calculated Property |
Similar Compounds
Find more compounds similar to CYCLOPENTANE, 2-n-OCTANYL-.
Sources
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