- 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° | 80.64 | 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 | 833.54 | K | Relay (1.0) Calculated Property |
| Tfus | 381.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.13; 637.14] | J/mol×K | [647.00; 896.88] | 
|
| Cp,gas | 524.13 | J/mol×K | 647.00 | Joback Calculated Property |
| Cp,gas | 546.87 | J/mol×K | 688.65 | Joback Calculated Property |
| Cp,gas | 567.89 | J/mol×K | 730.29 | Joback Calculated Property |
| Cp,gas | 587.31 | J/mol×K | 771.94 | Joback Calculated Property |
| Cp,gas | 605.25 | J/mol×K | 813.59 | Joback Calculated Property |
| Cp,gas | 621.82 | J/mol×K | 855.24 | Joback Calculated Property |
| Cp,gas | 637.14 | J/mol×K | 896.88 | Joback Calculated Property |
| η | [0.0002122; 0.0023743] | Pa×s | [364.34; 647.00] |
|
| η | 0.0023743 | Pa×s | 364.34 | Joback Calculated Property |
| η | 0.0012609 | Pa×s | 411.45 | Joback Calculated Property |
| η | 0.0007626 | Pa×s | 458.56 | Joback Calculated Property |
| η | 0.0005065 | Pa×s | 505.67 | Joback Calculated Property |
| η | 0.0003608 | Pa×s | 552.78 | Joback Calculated Property |
| η | 0.0002710 | Pa×s | 599.89 | Joback Calculated Property |
| η | 0.0002122 | Pa×s | 647.00 | Joback Calculated Property |
Similar Compounds
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Sources
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