- InChI
- InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3
- InChI Key
- ZNKKYYNWFKHNHZ-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- CC1C=CC=CC1
- Molecular Weight1
- 94.15
- CAS
- 19656-98-5
- Other Names
-
- 1,3-Cyclohexadiene, 6-methyl
- 5-Methyl-1,3-cyclohexadiene
- 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).
- 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).
- 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° | 92.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 90.030 | ml/mol | McGowan Calculated Property |
| Pc | 3843.54 | kPa | Joback Calculated Property |
| Inp | [730.00; 763.00] |
|
|
| Inp | 763.00 | NIST | |
| Inp | 730.00 | NIST | |
| Tboil | 377.43 | K | Joback Calculated Property |
| Tc | 584.34 | K | Joback Calculated Property |
| Tfus | 177.55 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.80; 220.31] | J/mol×K | [377.43; 584.34] |
|
| Cp,gas | 148.80 | J/mol×K | 377.43 | Joback Calculated Property |
| Cp,gas | 162.43 | J/mol×K | 411.92 | Joback Calculated Property |
| Cp,gas | 175.35 | J/mol×K | 446.40 | Joback Calculated Property |
| Cp,gas | 187.58 | J/mol×K | 480.89 | Joback Calculated Property |
| Cp,gas | 199.13 | J/mol×K | 515.37 | Joback Calculated Property |
| Cp,gas | 210.03 | J/mol×K | 549.86 | Joback Calculated Property |
| Cp,gas | 220.31 | J/mol×K | 584.34 | Joback Calculated Property |
| η | [0.0002387; 0.0035209] | Pa×s | [177.55; 377.43] |
|
| η | 0.0035209 | Pa×s | 177.55 | Joback Calculated Property |
| η | 0.0015775 | Pa×s | 210.86 | Joback Calculated Property |
| η | 0.0008799 | Pa×s | 244.18 | Joback Calculated Property |
| η | 0.0005646 | Pa×s | 277.49 | Joback Calculated Property |
| η | 0.0003985 | Pa×s | 310.80 | Joback Calculated Property |
| η | 0.0003008 | Pa×s | 344.12 | Joback Calculated Property |
| η | 0.0002387 | Pa×s | 377.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclohexadiene, 5-methyl-.
Sources
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