- InChI
- InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h8H,2-7,9H2,1H3
- InChI Key
- INNYVOGDZSDNIP-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CCCCC1=CCCCC1
- Molecular Weight1
- 138.25
- CAS
- 3282-53-9
- Other Names
-
- 1-Butyl-1-cyclohexene
- 1-Butylcyclohexene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -102.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 ± 0.01 | eV | NIST |
| logPoct/wat | 3.677 | Crippen Calculated Property | |
| McVol | 136.600 | ml/mol | McGowan Calculated Property |
| Inp | [1041.80; 1085.00] |
|
|
| Inp | 1042.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | Outlier 1085.00 | NIST | |
| Inp | 1041.80 | NIST | |
| Inp | 1046.80 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Ip | [1156.10; 1213.00] |
|
|
| Ip | Outlier 1156.10 | NIST | |
| Ip | 1163.50 | NIST | |
| Ip | 1166.90 | NIST | |
| Ip | 1198.00 | NIST | |
| Ip | 1208.00 | NIST | |
| Ip | Outlier 1213.00 | NIST | |
| Ip | 1178.00 | NIST | |
| Ip | 1188.00 | NIST | |
| Ip | 1183.00 | NIST | |
| Ip | 1188.00 | NIST | |
| Ip | 1193.00 | NIST | |
| Ip | 1197.00 | NIST | |
| Ip | 1172.00 | NIST | |
| Ip | 1178.00 | NIST | |
| Ip | 1182.70 | NIST | |
| Ip | 1188.00 | NIST | |
| Ip | 1192.70 | NIST | |
| Ip | 1196.80 | NIST | |
| Ip | 1172.30 | NIST | |
| Ip | 1177.80 | NIST | |
| Ip | 1198.00 | NIST | |
| Ip | 1196.90 | NIST | |
| Ip | 1177.10 | NIST | |
| Ip | 1187.10 | NIST | |
| Ip | 1196.90 | NIST | |
| Ip | 1177.10 | NIST | |
| Ip | 1187.10 | NIST | |
| Tboil | [452.00; 455.00] | K |
|
| Tboil | 452.00 ± 4.00 | K | NIST |
| Tboil | 455.00 ± 4.00 | K | NIST |
| Tfus | 180.93 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [173.31; 479.31] | 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 | -5.56670e+01 | |||
| Coefficient B | 9.86920e-01 | |||
| Coefficient C | -5.76840e-04 | |||
| Coefficient D | 1.24900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 226.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 274.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 316.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 354.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 415.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 439.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 461.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 479.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0062530; 0.0002338] | Pa×s | [227.36; 460.14] |
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 | -1.15709e+01 | |||
| Coefficient B | 1.47698e+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. | 227.36 | |||
| Temperature range, max. | 460.14 | |||
| η | 0.0062530 | Pa×s | 227.36 | Calculated Property |
| η | 0.0032205 | Pa×s | 253.22 | Calculated Property |
| η | 0.0018758 | Pa×s | 279.09 | Calculated Property |
| η | 0.0011974 | Pa×s | 304.95 | Calculated Property |
| η | 0.0008200 | Pa×s | 330.82 | Calculated Property |
| η | 0.0005932 | Pa×s | 356.68 | Calculated Property |
| η | 0.0004483 | Pa×s | 382.54 | Calculated Property |
| η | 0.0003511 | Pa×s | 408.41 | Calculated Property |
| η | 0.0002831 | Pa×s | 434.27 | Calculated Property |
| η | 0.0002338 | Pa×s | 460.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 1-butyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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