- InChI
- InChI=1S/C16H22/c1-3-7-13-11-15-9-5-2-6-10-16(15)12-14(13)8-4-1/h11-12H,1-10H2
- InChI Key
- WJQQTTIQCZWNPU-UHFFFAOYSA-N
- Formula
- C16H22
- SMILES
- c1c2c(cc3c1CCCCC3)CCCCC2
- Molecular Weight1
- 214.35
- CAS
- 14314-87-5
- 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 | 0.4679 | Relay (1.0) Calculated Property | |
| ΔfG° | 255.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -65.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 ± 0.02 | eV | NIST |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.224 | Crippen Calculated Property | |
| McVol | 190.820 | ml/mol | McGowan Calculated Property |
| Pc | 2398.22 | kPa | Joback Calculated Property |
| Tboil | 615.43 | K | Relay (1.0) Calculated Property |
| Tc | 834.29 | K | Relay (1.0) Calculated Property |
| Tfus | 375.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.31; 670.41] | 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 | -1.35510e+02 | |||
| Coefficient B | 1.58280e+00 | |||
| Coefficient C | -1.04228e-03 | |||
| Coefficient D | 2.65400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 224.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 305.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 377.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 439.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 493.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 540.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 580.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 615.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 644.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 670.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023743; 0.0002332] | Pa×s | [364.34; 628.01] |
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 | -1.15704e+01 | |||
| Coefficient B | 2.01382e+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. | 364.34 | |||
| Temperature range, max. | 628.01 | |||
| η | 0.0023743 | Pa×s | 364.34 | Calculated Property |
| η | 0.0015735 | Pa×s | 393.64 | Calculated Property |
| η | 0.0011040 | Pa×s | 422.93 | Calculated Property |
| η | 0.0008110 | Pa×s | 452.23 | Calculated Property |
| η | 0.0006185 | Pa×s | 481.53 | Calculated Property |
| η | 0.0004866 | Pa×s | 510.82 | Calculated Property |
| η | 0.0003929 | Pa×s | 540.12 | Calculated Property |
| η | 0.0003243 | Pa×s | 569.42 | Calculated Property |
| η | 0.0002728 | Pa×s | 598.72 | Calculated Property |
| η | 0.0002332 | Pa×s | 628.01 | Calculated Property |
Similar Compounds
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Sources
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