- InChI
- InChI=1S/C16H30/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h14-16H,2-13H2,1H3
- InChI Key
- QYUDFQUDLLTCAA-UHFFFAOYSA-N
- Formula
- C16H30
- SMILES
- CC(CCC1CCCCC1)C1CCCCC1
- Molecular Weight1
- 222.41
- CAS
- 41851-35-8
- Other Names
-
- 1,3-Dicyclohexylbutane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Pvap : Vapor 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 | 0.4189 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -10220.00 | kJ/mol | NIST |
| ΔfG° | 130.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.563 | Crippen Calculated Property | |
| McVol | 214.580 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| Tboil | 576.34 ± 0.30 | K | NIST |
| Tc | 782.42 | K | Relay (1.0) Calculated Property |
| Tfus | 251.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.779 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.49; 741.10] | J/mol×K | [604.14; 824.40] | 
|
| Cp,gas | 601.49 | J/mol×K | 604.14 | Joback Calculated Property |
| Cp,gas | 628.82 | J/mol×K | 640.85 | Joback Calculated Property |
| Cp,gas | 654.44 | J/mol×K | 677.56 | Joback Calculated Property |
| Cp,gas | 678.42 | J/mol×K | 714.27 | Joback Calculated Property |
| Cp,gas | 700.82 | J/mol×K | 750.98 | Joback Calculated Property |
| Cp,gas | 721.69 | J/mol×K | 787.69 | Joback Calculated Property |
| Cp,gas | 741.10 | J/mol×K | 824.40 | Joback Calculated Property |
| Cp,liquid | 359.40 | J/mol×K | 313.00 | NIST |
| η | [0.0001627; 0.0121478] | Pa×s | [269.84; 604.14] |
|
| η | 0.0121478 | Pa×s | 269.84 | Joback Calculated Property |
| η | 0.0031999 | Pa×s | 325.56 | Joback Calculated Property |
| η | 0.0012448 | Pa×s | 381.27 | Joback Calculated Property |
| η | 0.0006161 | Pa×s | 436.99 | Joback Calculated Property |
| η | 0.0003575 | Pa×s | 492.71 | Joback Calculated Property |
| η | 0.0002317 | Pa×s | 548.42 | Joback Calculated Property |
| η | 0.0001627 | Pa×s | 604.14 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [426.07; 614.34] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39762e+01 | |||
| Coefficient B | -4.44468e+03 | |||
| Coefficient C | -1.01373e+02 | |||
| Temperature range, min. | 426.07 | |||
| Temperature range, max. | 614.34 | |||
| Pvap | 1.33 | kPa | 426.07 | Calculated Property |
| Pvap | 3.05 | kPa | 446.99 | Calculated Property |
| Pvap | 6.36 | kPa | 467.91 | Calculated Property |
| Pvap | 12.24 | kPa | 488.83 | Calculated Property |
| Pvap | 22.03 | kPa | 509.75 | Calculated Property |
| Pvap | 37.44 | kPa | 530.66 | Calculated Property |
| Pvap | 60.57 | kPa | 551.58 | Calculated Property |
| Pvap | 93.89 | kPa | 572.50 | Calculated Property |
| Pvap | 140.21 | kPa | 593.42 | Calculated Property |
| Pvap | 202.66 | kPa | 614.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,1'-(1-methyl-1,3-propanediyl)bis-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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