- InChI
- InChI=1S/C13H26/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h11-12H,5-10H2,1-4H3
- InChI Key
- PUUCZCJOATUHNE-UHFFFAOYSA-N
- Formula
- C13H26
- SMILES
- CCCCC1C(C)CCCC1(C)C
- Molecular Weight1
- 182.35
- CAS
- 54676-39-0
- Other Names
-
- 1,1,3-Trimethyl-2-butyl-cyclohexane
- 2-Butyl-1,1,3-trimethylcyclohexane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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° | 62.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 4.639 | Crippen Calculated Property | |
| McVol | 183.170 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | 1228.00 | NIST | |
| Tboil | 507.29 | K | Joback Calculated Property |
| Tc | 704.36 | K | Joback Calculated Property |
| Tfus | 259.07 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.22; 563.67] | J/mol×K | [507.29; 704.36] | 
|
| Cp,gas | 445.22 | J/mol×K | 507.29 | Joback Calculated Property |
| Cp,gas | 467.63 | J/mol×K | 540.14 | Joback Calculated Property |
| Cp,gas | 488.86 | J/mol×K | 572.98 | Joback Calculated Property |
| Cp,gas | 509.00 | J/mol×K | 605.83 | Joback Calculated Property |
| Cp,gas | 528.12 | J/mol×K | 638.67 | Joback Calculated Property |
| Cp,gas | 546.32 | J/mol×K | 671.52 | Joback Calculated Property |
| Cp,gas | 563.67 | J/mol×K | 704.36 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [378.41; 534.65] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48084e+01 | |||
| Coefficient B | -4.28856e+03 | |||
| Coefficient C | -8.30740e+01 | |||
| Temperature range, min. | 378.41 | |||
| Temperature range, max. | 534.65 | |||
| Pvap | 1.33 | kPa | 378.41 | Calculated Property |
| Pvap | 2.98 | kPa | 395.77 | Calculated Property |
| Pvap | 6.14 | kPa | 413.13 | Calculated Property |
| Pvap | 11.75 | kPa | 430.49 | Calculated Property |
| Pvap | 21.15 | kPa | 447.85 | Calculated Property |
| Pvap | 36.08 | kPa | 465.21 | Calculated Property |
| Pvap | 58.76 | kPa | 482.57 | Calculated Property |
| Pvap | 91.88 | kPa | 499.93 | Calculated Property |
| Pvap | 138.63 | kPa | 517.29 | Calculated Property |
| Pvap | 202.65 | kPa | 534.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 2-butyl-1,1,3-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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