- InChI
- InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1+,9-7+,10-8+
- InChI Key
- ZOLLIQAKMYWTBR-FFWAUJBHSA-N
- Formula
- C12H18
- SMILES
- C1=CCCC=CCCC=CCC1
- Molecular Weight1
- 162.27
- CAS
- 676-22-2
- Other Names
-
- (E,E,E)-1,5,9-Cyclododecatriene
- All-trans-1,5,9-Cyclododecatriene
- trans,trans,trans-1,5,9-Cyclododecatriene
- (1E,5E,9E)-cyclododeca-1,5,9-triene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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.
- 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 | 0.1835 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7321.20 | kJ/mol | NIST |
| ΔfG° | 99.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.67 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 74.68 | kJ/mol | NIST |
| ΔvapH° | 61.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.009 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2847.48 | kPa | Joback Calculated Property |
| Inp | [1256.00; 1312.00] |
|
|
| Inp | 1303.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1303.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Tboil | 510.70 | K | NIST |
| Tc | 665.04 | K | Relay (1.0) Calculated Property |
| Tfus | 254.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 75.20 | kJ/mol | 290.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.89; 533.61] | 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 | -8.69500e+01 | |||
| Coefficient B | 1.06680e+00 | |||
| Coefficient C | -4.48840e-04 | |||
| Coefficient D | 2.60000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 170.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 292.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 343.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 390.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 430.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 464.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 493.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 533.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1073633; 0.0000498] | Pa×s | [217.78; 538.84] |
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 | -1.51127e+01 | |||
| Coefficient B | 2.80526e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 217.78 | |||
| Temperature range, max. | 538.84 | |||
| η | 0.1073633 | Pa×s | 217.78 | Calculated Property |
| η | 0.0175180 | Pa×s | 253.45 | Calculated Property |
| η | 0.0044710 | Pa×s | 289.13 | Calculated Property |
| η | 0.0015403 | Pa×s | 324.80 | Calculated Property |
| η | 0.0006552 | Pa×s | 360.47 | Calculated Property |
| η | 0.0003251 | Pa×s | 396.14 | Calculated Property |
| η | 0.0001811 | Pa×s | 431.82 | Calculated Property |
| η | 0.0001103 | Pa×s | 467.49 | Calculated Property |
| η | 0.0000721 | Pa×s | 503.16 | Calculated Property |
| η | 0.0000498 | Pa×s | 538.84 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5,9-Cyclododecatriene, (E,E,E)-.
Sources
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