- InChI
- InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
- InChI Key
- PAWGRNGPMLVJQH-ZHACJKMWSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCCCCC=CC(=O)O
- Molecular Weight1
- 198.30
- CAS
- 4412-16-2
- Other Names
-
- Dodec-2-enoic acid
- 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).
- 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 | 0.8558 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.768 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Tboil | 553.02 | K | Relay (1.0) Calculated Property |
| Tc | 737.32 | K | Relay (1.0) Calculated Property |
| Tfus | 338.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.07; 553.04] | J/mol×K | [624.17; 795.47] | 
|
| Cp,gas | 482.07 | J/mol×K | 624.17 | Joback Calculated Property |
| Cp,gas | 495.33 | J/mol×K | 652.72 | Joback Calculated Property |
| Cp,gas | 507.99 | J/mol×K | 681.27 | Joback Calculated Property |
| Cp,gas | 520.06 | J/mol×K | 709.82 | Joback Calculated Property |
| Cp,gas | 531.58 | J/mol×K | 738.37 | Joback Calculated Property |
| Cp,gas | 542.56 | J/mol×K | 766.92 | Joback Calculated Property |
| Cp,gas | 553.04 | J/mol×K | 795.47 | Joback Calculated Property |
| η | [0.0000616; 0.0075567] | Pa×s | [330.67; 624.17] |
|
| η | 0.0075567 | Pa×s | 330.67 | Joback Calculated Property |
| η | 0.0020223 | Pa×s | 379.59 | Joback Calculated Property |
| η | 0.0007313 | Pa×s | 428.50 | Joback Calculated Property |
| η | 0.0003257 | Pa×s | 477.42 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 526.34 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 575.25 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 624.17 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [437.32; 634.23] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39339e+01 | |||
| Coefficient B | -4.61171e+03 | |||
| Coefficient C | -9.93740e+01 | |||
| Temperature range, min. | 437.32 | |||
| Temperature range, max. | 634.23 | |||
| Pvap | 1.33 | kPa | 437.32 | Calculated Property |
| Pvap | 3.06 | kPa | 459.20 | Calculated Property |
| Pvap | 6.37 | kPa | 481.08 | Calculated Property |
| Pvap | 12.27 | kPa | 502.96 | Calculated Property |
| Pvap | 22.08 | kPa | 524.84 | Calculated Property |
| Pvap | 37.51 | kPa | 546.71 | Calculated Property |
| Pvap | 60.67 | kPa | 568.59 | Calculated Property |
| Pvap | 94.00 | kPa | 590.47 | Calculated Property |
| Pvap | 140.30 | kPa | 612.35 | Calculated Property |
| Pvap | 202.66 | kPa | 634.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Dodecenoic acid.
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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