- InChI
- InChI=1S/C13H24/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h8,11,13H,2-7,9-10,12H2,1H3
- InChI Key
- GPEVHZAJZYGTGA-UHFFFAOYSA-N
- Formula
- C13H24
- SMILES
- CCCCCCCC1C=CCCC1
- Molecular Weight1
- 180.33
- CAS
- 15232-93-6
- Other Names
-
- 3-Heptyl-1-cyclohexene
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.4445 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.703 | Crippen Calculated Property | |
| McVol | 178.870 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Inp | [1342.00; 1342.00] |
|
|
| Inp | 1342.00 | NIST | |
| Inp | 1342.00 | NIST | |
| I | [1473.00; 1523.00] |
|
|
| I | 1489.00 | NIST | |
| I | 1501.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1518.00 | NIST | |
| I | Outlier 1523.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1509.00 | NIST | |
| I | 1480.30 | NIST | |
| I | 1486.20 | NIST | |
| I | 1492.20 | NIST | |
| I | 1497.30 | NIST | |
| I | 1503.20 | NIST | |
| I | 1508.90 | NIST | |
| I | 1489.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1497.30 | NIST | |
| Tboil | 512.05 | K | Relay (1.0) Calculated Property |
| Tc | 695.47 | K | Relay (1.0) Calculated Property |
| Tfus | 233.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.67; 643.79] | 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 | -6.67540e+01 | |||
| Coefficient B | 1.30492e+00 | |||
| Coefficient C | -7.51680e-04 | |||
| Coefficient D | 1.57300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 307.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 371.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 427.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 477.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 520.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 558.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 591.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 619.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 643.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0062694; 0.0002457] | Pa×s | [244.41; 495.26] |
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 | -1.14672e+01 | |||
| Coefficient B | 1.56303e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 244.41 | |||
| Temperature range, max. | 495.26 | |||
| η | 0.0062694 | Pa×s | 244.41 | Calculated Property |
| η | 0.0032578 | Pa×s | 272.28 | Calculated Property |
| η | 0.0019117 | Pa×s | 300.16 | Calculated Property |
| η | 0.0012281 | Pa×s | 328.03 | Calculated Property |
| η | 0.0008456 | Pa×s | 355.90 | Calculated Property |
| η | 0.0006147 | Pa×s | 383.77 | Calculated Property |
| η | 0.0004665 | Pa×s | 411.65 | Calculated Property |
| η | 0.0003667 | Pa×s | 439.52 | Calculated Property |
| η | 0.0002966 | Pa×s | 467.39 | Calculated Property |
| η | 0.0002457 | Pa×s | 495.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 3-heptyl-.
Sources
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