- InChI
- InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
- InChI Key
- QMFJIJFIHIDENY-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- CC1=CC=CCC1
- Molecular Weight1
- 94.15
- CAS
- 1489-56-1
- Other Names
-
- 1,3-Cyclohexadiene, 1-methyl-
- 2,3-dihydrotoluene
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.1993 | Relay (1.0) Calculated Property | |
| ΔfG° | 90.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 73.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) 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 | [771.00; 791.00] |
|
|
| Inp | 771.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 791.00 | NIST | |
| Tboil | 371.20 ± 1.00 | K | NIST |
| Tc | 573.79 | K | Relay (1.0) Calculated Property |
| Tfus | 177.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.317 | m3/kmol | Relay (1.0) 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; 202.62] | kPa | [270.26; 396.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43111e+01 | |||
| Coefficient B | -3.16813e+03 | |||
| Coefficient C | -4.43440e+01 | |||
| Temperature range, min. | 270.26 | |||
| Temperature range, max. | 396.37 | |||
| Pvap | 1.33 | kPa | 270.26 | Calculated Property |
| Pvap | 3.02 | kPa | 284.27 | Calculated Property |
| Pvap | 6.27 | kPa | 298.28 | Calculated Property |
| Pvap | 12.03 | kPa | 312.30 | Calculated Property |
| Pvap | 21.65 | kPa | 326.31 | Calculated Property |
| Pvap | 36.86 | kPa | 340.32 | Calculated Property |
| Pvap | 59.80 | kPa | 354.33 | Calculated Property |
| Pvap | 93.03 | kPa | 368.35 | Calculated Property |
| Pvap | 139.53 | kPa | 382.36 | Calculated Property |
| Pvap | 202.62 | kPa | 396.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-1,3-cyclohexadiene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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