- InChI
- InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
- InChI Key
- CWMPPVPFLSZGCY-VOTSOKGWSA-N
- Formula
- C8H14O2
- SMILES
- CCCCCC=CC(=O)O
- Molecular Weight1
- 142.20
- CAS
- 1470-50-4
- Other Names
-
- Oct-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 | 0.7133 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.208 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 518.15 ± 2.00 | K | NIST |
| Tc | 680.24 | K | Relay (1.0) Calculated Property |
| Tfus | 314.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.94; 346.22] | J/mol×K | [532.65; 708.47] | 
|
| Cp,gas | 290.94 | J/mol×K | 532.65 | Joback Calculated Property |
| Cp,gas | 301.30 | J/mol×K | 561.95 | Joback Calculated Property |
| Cp,gas | 311.18 | J/mol×K | 591.26 | Joback Calculated Property |
| Cp,gas | 320.59 | J/mol×K | 620.56 | Joback Calculated Property |
| Cp,gas | 329.56 | J/mol×K | 649.86 | Joback Calculated Property |
| Cp,gas | 338.09 | J/mol×K | 679.17 | Joback Calculated Property |
| Cp,gas | 346.22 | J/mol×K | 708.47 | Joback Calculated Property |
| η | [0.0001225; 0.0161455] | Pa×s | [285.59; 532.65] |
|
| η | 0.0161455 | Pa×s | 285.59 | Joback Calculated Property |
| η | 0.0042862 | Pa×s | 326.77 | Joback Calculated Property |
| η | 0.0015311 | Pa×s | 367.94 | Joback Calculated Property |
| η | 0.0006729 | Pa×s | 409.12 | Joback Calculated Property |
| η | 0.0003437 | Pa×s | 450.30 | Joback Calculated Property |
| η | 0.0001965 | Pa×s | 491.47 | Joback Calculated Property |
| η | 0.0001225 | Pa×s | 532.65 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [389.88; 564.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41450e+01 | |||
| Coefficient B | -4.25411e+03 | |||
| Coefficient C | -8.28880e+01 | |||
| Temperature range, min. | 389.88 | |||
| Temperature range, max. | 564.47 | |||
| Pvap | 1.33 | kPa | 389.88 | Calculated Property |
| Pvap | 3.04 | kPa | 409.28 | Calculated Property |
| Pvap | 6.31 | kPa | 428.68 | Calculated Property |
| Pvap | 12.13 | kPa | 448.08 | Calculated Property |
| Pvap | 21.84 | kPa | 467.48 | Calculated Property |
| Pvap | 37.14 | kPa | 486.87 | Calculated Property |
| Pvap | 60.17 | kPa | 506.27 | Calculated Property |
| Pvap | 93.45 | kPa | 525.67 | Calculated Property |
| Pvap | 139.86 | kPa | 545.07 | Calculated Property |
| Pvap | 202.63 | kPa | 564.47 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octenoic 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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