- InChI
- InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h5H,4,6-7H2,1-3H3
- InChI Key
- CHOOCIQDWNAXQQ-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CC1=CCCC(C)(C)C1
- Molecular Weight1
- 124.22
- CAS
- 503-46-8
- Other Names
-
- 1,5,5-trimethylcyclohexene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -5595.70 | kJ/mol | NIST |
| ΔfG° | 64.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.86 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| Inp | 884.00 | NIST | |
| Tboil | 429.25 | K | Joback Calculated Property |
| Tc | 640.93 | K | Joback Calculated Property |
| Tfus | 235.75 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.07; 333.12] | J/mol×K | [429.25; 640.93] | 
|
| Cp,gas | 244.07 | J/mol×K | 429.25 | Joback Calculated Property |
| Cp,gas | 261.48 | J/mol×K | 464.53 | Joback Calculated Property |
| Cp,gas | 277.72 | J/mol×K | 499.81 | Joback Calculated Property |
| Cp,gas | 292.91 | J/mol×K | 535.09 | Joback Calculated Property |
| Cp,gas | 307.14 | J/mol×K | 570.37 | Joback Calculated Property |
| Cp,gas | 320.51 | J/mol×K | 605.65 | Joback Calculated Property |
| Cp,gas | 333.12 | J/mol×K | 640.93 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [303.72; 455.30] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35217e+01 | |||
| Coefficient B | -3.27828e+03 | |||
| Coefficient C | -5.60060e+01 | |||
| Temperature range, min. | 303.72 | |||
| Temperature range, max. | 455.30 | |||
| Pvap | 1.33 | kPa | 303.72 | Calculated Property |
| Pvap | 3.10 | kPa | 320.56 | Calculated Property |
| Pvap | 6.50 | kPa | 337.40 | Calculated Property |
| Pvap | 12.55 | kPa | 354.25 | Calculated Property |
| Pvap | 22.58 | kPa | 371.09 | Calculated Property |
| Pvap | 38.29 | kPa | 387.93 | Calculated Property |
| Pvap | 61.69 | kPa | 404.77 | Calculated Property |
| Pvap | 95.12 | kPa | 421.62 | Calculated Property |
| Pvap | 141.17 | kPa | 438.46 | Calculated Property |
| Pvap | 202.66 | kPa | 455.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 1,5,5-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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