- InChI
- InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1+
- InChI Key
- HYPABJGVBDSCIT-OWOJBTEDSA-N
- Formula
- C12H22
- SMILES
- C1=C/CCCCCCCCCC/1
- Molecular Weight1
- 166.31
- Other Names
-
- (E)-Cyclododecene
- Cyclododecene, trans-
- t-Cyclododecene
- trans-Cyclododecene
- 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.
- Ip : 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 | 0.1905 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 ± 0.15 | eV | NIST |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.457 | Crippen Calculated Property | |
| McVol | 164.780 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Inp | [1291.50; 1362.00] |
|
|
| Inp | 1336.70 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1336.70 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1291.50 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Ip | [1539.80; 1577.90] |
|
|
| Ip | 1539.80 | NIST | |
| Ip | 1557.90 | NIST | |
| Ip | 1577.90 | NIST | |
| Tboil | 511.91 | K | Relay (1.0) Calculated Property |
| Tc | 713.53 | K | Relay (1.0) Calculated Property |
| Tfus | 273.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.84; 596.21] | 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 | -1.02510e+02 | |||
| Coefficient B | 1.17880e+00 | |||
| Coefficient C | -4.74280e-04 | |||
| Coefficient D | -5.80000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 254.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 430.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 476.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 515.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 549.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 575.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 596.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0110982; 0.0000509] | Pa×s | [273.15; 536.36] |
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 | -1.54722e+01 | |||
| Coefficient B | 2.99678e+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. | 273.15 | |||
| Temperature range, max. | 536.36 | |||
| η | 0.0110982 | Pa×s | 273.15 | Calculated Property |
| η | 0.0038410 | Pa×s | 302.40 | Calculated Property |
| η | 0.0016029 | Pa×s | 331.64 | Calculated Property |
| η | 0.0007707 | Pa×s | 360.89 | Calculated Property |
| η | 0.0004136 | Pa×s | 390.13 | Calculated Property |
| η | 0.0002421 | Pa×s | 419.38 | Calculated Property |
| η | 0.0001519 | Pa×s | 448.62 | Calculated Property |
| η | 0.0001009 | Pa×s | 477.87 | Calculated Property |
| η | 0.0000703 | Pa×s | 507.11 | Calculated Property |
| η | 0.0000509 | Pa×s | 536.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclododecene, (E)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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