- InChI
- InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3/b6-4+
- InChI Key
- QIWJMWAOAINRPL-GQCTYLIASA-N
- Formula
- C8H14
- SMILES
- C=CC(C)CC=CC
- Molecular Weight1
- 110.20
- CAS
- 4894-62-6
- Other Names
-
- 3-Methyl-1,5-heptadiene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- 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 | 0.2537 | Relay (1.0) Calculated Property | |
| ΔfusH° | 11.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.775 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Tboil | [383.70; 385.70] | K |
|
| Tboil | 383.70 ± 1.00 | K | NIST |
| Tboil | 385.70 ± 2.00 | K | NIST |
| Tboil | 384.15 ± 0.50 | K | NIST |
| Tc | 541.35 | K | Relay (1.0) Calculated Property |
| Tfus | 162.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.07; 373.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.32390e+01 | |||
| Coefficient B | 7.69740e-01 | |||
| Coefficient C | -5.21300e-04 | |||
| Coefficient D | 1.48300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 255.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 281.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 325.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 343.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 359.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 373.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0081563; 0.0001762] | Pa×s | [158.08; 393.93] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12147e+01 | |||
| Coefficient B | 1.01262e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 158.08 | |||
| Temperature range, max. | 393.93 | |||
| η | 0.0081563 | Pa×s | 158.08 | Calculated Property |
| η | 0.0032801 | Pa×s | 184.29 | Calculated Property |
| η | 0.0016550 | Pa×s | 210.49 | Calculated Property |
| η | 0.0009716 | Pa×s | 236.70 | Calculated Property |
| η | 0.0006343 | Pa×s | 262.90 | Calculated Property |
| η | 0.0004474 | Pa×s | 289.11 | Calculated Property |
| η | 0.0003344 | Pa×s | 315.31 | Calculated Property |
| η | 0.0002613 | Pa×s | 341.52 | Calculated Property |
| η | 0.0002116 | Pa×s | 367.73 | Calculated Property |
| η | 0.0001762 | Pa×s | 393.93 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [288.82; 406.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56130e+01 | |||
| Coefficient B | -3.69152e+03 | |||
| Coefficient C | -4.79440e+01 | |||
| Temperature range, min. | 288.82 | |||
| Temperature range, max. | 406.29 | |||
| Pvap | 1.33 | kPa | 288.82 | Calculated Property |
| Pvap | 2.93 | kPa | 301.87 | Calculated Property |
| Pvap | 5.97 | kPa | 314.92 | Calculated Property |
| Pvap | 11.36 | kPa | 327.98 | Calculated Property |
| Pvap | 20.44 | kPa | 341.03 | Calculated Property |
| Pvap | 34.97 | kPa | 354.08 | Calculated Property |
| Pvap | 57.26 | kPa | 367.13 | Calculated Property |
| Pvap | 90.20 | kPa | 380.19 | Calculated Property |
| Pvap | 137.28 | kPa | 393.24 | Calculated Property |
| Pvap | 202.64 | kPa | 406.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Heptadiene, 3-methyl-.
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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