- InChI
- InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
- InChI Key
- SSNZFFBDIMUILS-ZHACJKMWSA-N
- Formula
- C12H22O
- SMILES
- CCCCCCCCC/C=C/C=O
- Molecular Weight1
- 182.31
- CAS
- 20407-84-5
- Other Names
-
- (2E)-2-Dodecenal
- (E)-2-Dodecen-1-al
- (E)-2-Dodecenal
- (E)-Dodec-2-enal
- (E)-dodec-2-en-1-al
- 2(E)-Dodecenal
- trans-2-Dodecenal
- trans-Dodec-2-enal
- 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).
- Pvap : Vapor 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 | 0.6012 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -277.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.60 | kJ/mol | NIST |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.882 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | [1439.00; 1482.00] |
|
|
| Inp | 1472.00 | NIST | |
| Inp | 1439.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1452.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1467.50 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | Outlier 1482.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Inp | 1467.50 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1444.00 | NIST | |
| Ip | [1835.00; 1901.00] |
|
|
| Ip | 1835.00 | NIST | |
| Ip | 1844.00 | NIST | |
| Ip | 1860.00 | NIST | |
| Ip | 1835.00 | NIST | |
| Ip | 1866.00 | NIST | |
| Ip | 1872.00 | NIST | |
| Ip | 1851.00 | NIST | |
| Ip | 1867.00 | NIST | |
| Ip | 1844.00 | NIST | |
| Ip | 1871.00 | NIST | |
| Ip | 1889.00 | NIST | |
| Ip | Outlier 1901.00 | NIST | |
| Ip | 1865.00 | NIST | |
| Ip | 1867.00 | NIST | |
| Ip | 1867.00 | NIST | |
| Ip | 1887.00 | NIST | |
| Ip | 1849.00 | NIST | |
| Ip | 1838.00 | NIST | |
| Ip | 1871.00 | NIST | |
| Ip | 1867.00 | NIST | |
| Tboil | 515.68 | K | Relay (1.0) Calculated Property |
| Tc | 724.65 | K | Relay (1.0) Calculated Property |
| Tfus | 248.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.96; 598.62] | 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 | -1.08020e+01 | |||
| Coefficient B | 1.13832e+00 | |||
| Coefficient C | -7.05800e-04 | |||
| Coefficient D | 1.76900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 311.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 412.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 454.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 491.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 523.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 551.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 576.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 598.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046993; 0.0002688] | Pa×s | [261.92; 490.19] |
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 | -1.15043e+01 | |||
| Coefficient B | 1.60923e+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. | 261.92 | |||
| Temperature range, max. | 490.19 | |||
| η | 0.0046993 | Pa×s | 261.92 | Calculated Property |
| η | 0.0027319 | Pa×s | 287.28 | Calculated Property |
| η | 0.0017343 | Pa×s | 312.65 | Calculated Property |
| η | 0.0011786 | Pa×s | 338.01 | Calculated Property |
| η | 0.0008454 | Pa×s | 363.37 | Calculated Property |
| η | 0.0006333 | Pa×s | 388.73 | Calculated Property |
| η | 0.0004914 | Pa×s | 414.10 | Calculated Property |
| η | 0.0003927 | Pa×s | 439.46 | Calculated Property |
| η | 0.0003216 | Pa×s | 464.82 | Calculated Property |
| η | 0.0002688 | Pa×s | 490.19 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [398.72; 573.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42287e+01 | |||
| Coefficient B | -4.33600e+03 | |||
| Coefficient C | -8.76980e+01 | |||
| Temperature range, min. | 398.72 | |||
| Temperature range, max. | 573.95 | |||
| Pvap | 1.33 | kPa | 398.72 | Calculated Property |
| Pvap | 3.03 | kPa | 418.19 | Calculated Property |
| Pvap | 6.29 | kPa | 437.66 | Calculated Property |
| Pvap | 12.08 | kPa | 457.13 | Calculated Property |
| Pvap | 21.75 | kPa | 476.60 | Calculated Property |
| Pvap | 37.00 | kPa | 496.07 | Calculated Property |
| Pvap | 59.99 | kPa | 515.54 | Calculated Property |
| Pvap | 93.25 | kPa | 535.01 | Calculated Property |
| Pvap | 139.71 | kPa | 554.48 | Calculated Property |
| Pvap | 202.66 | kPa | 573.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Dodecenal, (E)-.
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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