- InChI
- InChI=1S/C9H16/c1-8-4-6-9(2,3)7-5-8/h4H,5-7H2,1-3H3
- InChI Key
- VUWMEDZMVLUYQB-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CC1=CCC(C)(C)CC1
- Molecular Weight1
- 124.22
- CAS
- 3419-71-4
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.2407 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) 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 | [887.00; 887.00] |
|
|
| Inp | 887.00 | NIST | |
| Inp | 887.00 | NIST | |
| Tboil | 413.20 | K | NIST |
| Tc | 594.37 | K | Relay (1.0) Calculated Property |
| Tfus | 195.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 310.50 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexene, 1,4,4-trimethyl-.
Sources
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