- 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
- 222.42
- 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 | 0.4187 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.87 | Relay (1.0) 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 | 776.82 | K | Relay (1.0) Calculated Property |
| Tfus | 243.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.93; 821.59] | 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 | -1.36927e+02 | |||
| Coefficient B | 1.74152e+00 | |||
| Coefficient C | -9.53200e-04 | |||
| Coefficient D | 1.70200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 367.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 453.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 530.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 598.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 657.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 709.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 753.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 790.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 821.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063202; 0.0002342] | Pa×s | [280.60; 571.13] |
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 | -1.15425e+01 | |||
| Coefficient B | 1.81785e+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. | 280.60 | |||
| Temperature range, max. | 571.13 | |||
| η | 0.0063202 | Pa×s | 280.60 | Calculated Property |
| η | 0.0032393 | Pa×s | 312.88 | Calculated Property |
| η | 0.0018813 | Pa×s | 345.16 | Calculated Property |
| η | 0.0011991 | Pa×s | 377.44 | Calculated Property |
| η | 0.0008204 | Pa×s | 409.72 | Calculated Property |
| η | 0.0005934 | Pa×s | 442.00 | Calculated Property |
| η | 0.0004485 | Pa×s | 474.28 | Calculated Property |
| η | 0.0003513 | Pa×s | 506.56 | Calculated Property |
| η | 0.0002833 | Pa×s | 538.85 | Calculated Property |
| η | 0.0002342 | Pa×s | 571.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Bicyclohexyl, 2-butyl-.
Sources
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