- 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-MOLCZBCNSA-N
- Formula
- C12H18
- SMILES
- C1=CCCC=CCCC=CCC1
- Molecular Weight1
- 162.27
- CAS
- 4904-61-4
- Other Names
-
- 1,5,9-Cyclododecatriene (Z,E,E)
- 1,5,9-Cyclooctatriene
- 1-cis-5-trans-9-trans-cyclododecatriene
- CDT
- Cyclododecatriene
- UN 2518
- cis,trans,trans-Cyclododeca-1,5,9-triene
- cyclododeca-1,5,9-triene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | |
| 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 |
| ΔvapH° | 61.37 | 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; 1256.00] |
|
|
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Tboil | 513.19 | K | Relay (1.0) Calculated Property |
| Tc | 664.11 | K | Relay (1.0) Calculated Property |
| Tfus | 255.65 | 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 |
|---|---|---|---|---|
| Cp,gas | [347.56; 469.35] | J/mol×K | [521.28; 769.47] |
|
| Cp,gas | 347.56 | J/mol×K | 521.28 | Joback Calculated Property |
| Cp,gas | 371.65 | J/mol×K | 562.64 | Joback Calculated Property |
| Cp,gas | 394.23 | J/mol×K | 604.01 | Joback Calculated Property |
| Cp,gas | 415.29 | J/mol×K | 645.37 | Joback Calculated Property |
| Cp,gas | 434.83 | J/mol×K | 686.74 | Joback Calculated Property |
| Cp,gas | 452.85 | J/mol×K | 728.10 | Joback Calculated Property |
| Cp,gas | 469.35 | J/mol×K | 769.47 | Joback Calculated Property |
| η | [0.0000594; 0.1073633] | Pa×s | [217.78; 521.28] |
|
| η | 0.1073633 | Pa×s | 217.78 | Joback Calculated Property |
| η | 0.0094713 | Pa×s | 268.36 | Joback Calculated Property |
| η | 0.0018048 | Pa×s | 318.95 | Joback Calculated Property |
| η | 0.0005414 | Pa×s | 369.53 | Joback Calculated Property |
| η | 0.0002171 | Pa×s | 420.11 | Joback Calculated Property |
| η | 0.0001059 | Pa×s | 470.70 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 521.28 | Joback Calculated Property |
| ΔvapH | [47.80; 60.00] | kJ/mol | [365.50; 464.50] |
|
| ΔvapH | 49.90 | kJ/mol | 365.50 | NIST |
| ΔvapH | 60.00 | kJ/mol | 411.50 | NIST |
| ΔvapH | 47.80 | kJ/mol | 464.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [361.72; 555.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.25025e+01 | |||
| Coefficient B | -3.38959e+03 | |||
| Coefficient C | -8.42230e+01 | |||
| Temperature range, min. | 361.72 | |||
| Temperature range, max. | 555.59 | |||
| Pvap | 1.33 | kPa | 361.72 | Calculated Property |
| Pvap | 3.21 | kPa | 383.26 | Calculated Property |
| Pvap | 6.88 | kPa | 404.80 | Calculated Property |
| Pvap | 13.39 | kPa | 426.34 | Calculated Property |
| Pvap | 24.09 | kPa | 447.88 | Calculated Property |
| Pvap | 40.57 | kPa | 469.43 | Calculated Property |
| Pvap | 64.65 | kPa | 490.97 | Calculated Property |
| Pvap | 98.31 | kPa | 512.51 | Calculated Property |
| Pvap | 143.61 | kPa | 534.05 | Calculated Property |
| Pvap | 202.65 | kPa | 555.59 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5,9-Cyclododecatriene.
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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