- InChI
- InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3
- InChI Key
- XMWINMVFKPHMJB-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- CC1=CCCC=C1
- Molecular Weight1
- 94.15
- CAS
- 1489-57-2
- Other Names
-
- 2-methyl-1,3-cyclohexadiene
- 4,5-dihydrotoluene
- 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).
- 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° | 90.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -9.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.35 | Crippen Calculated Property | |
| logPoct/wat | 2.283 | Crippen Calculated Property | |
| McVol | 90.030 | ml/mol | McGowan Calculated Property |
| Pc | 3930.78 | kPa | Joback Calculated Property |
| Inp | 791.00 | NIST | |
| Tboil | 387.08 | K | Joback Calculated Property |
| Tc | 596.32 | K | Joback Calculated Property |
| Tfus | 194.31 | K | Joback Calculated Property |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.21; 217.25] | J/mol×K | [387.08; 596.32] | 
|
| Cp,gas | 150.21 | J/mol×K | 387.08 | Joback Calculated Property |
| Cp,gas | 163.02 | J/mol×K | 421.95 | Joback Calculated Property |
| Cp,gas | 175.15 | J/mol×K | 456.83 | Joback Calculated Property |
| Cp,gas | 186.61 | J/mol×K | 491.70 | Joback Calculated Property |
| Cp,gas | 197.43 | J/mol×K | 526.57 | Joback Calculated Property |
| Cp,gas | 207.64 | J/mol×K | 561.45 | Joback Calculated Property |
| Cp,gas | 217.25 | J/mol×K | 596.32 | Joback Calculated Property |
| η | [0.0002418; 0.0040402] | Pa×s | [194.31; 387.08] |
|
| η | 0.0040402 | Pa×s | 194.31 | Joback Calculated Property |
| η | 0.0018112 | Pa×s | 226.44 | Joback Calculated Property |
| η | 0.0009911 | Pa×s | 258.57 | Joback Calculated Property |
| η | 0.0006197 | Pa×s | 290.69 | Joback Calculated Property |
| η | 0.0004254 | Pa×s | 322.82 | Joback Calculated Property |
| η | 0.0003126 | Pa×s | 354.95 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 387.08 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [277.82; 403.82] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45161e+01 | |||
| Coefficient B | -3.28465e+03 | |||
| Coefficient C | -4.69710e+01 | |||
| Temperature range, min. | 277.82 | |||
| Temperature range, max. | 403.82 | |||
| Pvap | 1.33 | kPa | 277.82 | Calculated Property |
| Pvap | 3.01 | kPa | 291.82 | Calculated Property |
| Pvap | 6.21 | kPa | 305.82 | Calculated Property |
| Pvap | 11.91 | kPa | 319.82 | Calculated Property |
| Pvap | 21.44 | kPa | 333.82 | Calculated Property |
| Pvap | 36.53 | kPa | 347.82 | Calculated Property |
| Pvap | 59.36 | kPa | 361.82 | Calculated Property |
| Pvap | 92.56 | kPa | 375.82 | Calculated Property |
| Pvap | 139.17 | kPa | 389.82 | Calculated Property |
| Pvap | 202.66 | kPa | 403.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclohexadiene, 3-methyl.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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