- InChI
- InChI=1S/C16H30/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h14-16H,2-13H2,1H3
- InChI Key
- NUHOLGQIGHXQAE-UHFFFAOYSA-N
- Formula
- C16H30
- SMILES
- CCCCC1CCCCC1C1CCCCC1
- Molecular Weight1
- 222.41
- CAS
- 54889-99-5
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 125.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 5.563 | Crippen Calculated Property | |
| McVol | 214.580 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Tboil | [567.30; 569.71] | K |
|
| Tboil | 567.30 ± 0.40 | K | NIST |
| Tboil | 569.71 ± 0.40 | K | NIST |
| Tc | 815.62 | K | Joback Calculated Property |
| Tfus | 280.60 | K | Joback Calculated Property |
| Vc | 0.796 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.53; 741.74] | J/mol×K | [599.91; 815.62] |
|
| Cp,gas | 601.53 | J/mol×K | 599.91 | Joback Calculated Property |
| Cp,gas | 628.80 | J/mol×K | 635.86 | Joback Calculated Property |
| Cp,gas | 654.45 | J/mol×K | 671.81 | Joback Calculated Property |
| Cp,gas | 678.52 | J/mol×K | 707.77 | Joback Calculated Property |
| Cp,gas | 701.06 | J/mol×K | 743.72 | Joback Calculated Property |
| Cp,gas | 722.11 | J/mol×K | 779.67 | Joback Calculated Property |
| Cp,gas | 741.74 | J/mol×K | 815.62 | Joback Calculated Property |
| η | [0.0002010; 0.0063202] | Pa×s | [280.60; 599.91] |
|
| η | 0.0063202 | Pa×s | 280.60 | Joback Calculated Property |
| η | 0.0022500 | Pa×s | 333.82 | Joback Calculated Property |
| η | 0.0010641 | Pa×s | 387.04 | Joback Calculated Property |
| η | 0.0006031 | Pa×s | 440.25 | Joback Calculated Property |
| η | 0.0003864 | Pa×s | 493.47 | Joback Calculated Property |
| η | 0.0002700 | Pa×s | 546.69 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 599.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Bicyclohexyl, 2-butyl-.
Sources
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