- 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° | -247.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.43 | 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 | 2937.70 | kPa | Joback Calculated Property |
| Tboil | 518.15 ± 2.00 | K | NIST |
| Tc | 689.10 | K | Relay (1.0) Calculated Property |
| Tfus | 306.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.81; 412.25] | 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 | -1.39660e+01 | |||
| Coefficient B | 8.34620e-01 | |||
| Coefficient C | -5.67800e-04 | |||
| Coefficient D | 1.59400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 397.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 412.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016138; 0.0002589] | Pa×s | [335.44; 507.71] |
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 | -1.18218e+01 | |||
| Coefficient B | 1.80890e+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. | 335.44 | |||
| Temperature range, max. | 507.71 | |||
| η | 0.0016138 | Pa×s | 335.44 | Calculated Property |
| η | 0.0012062 | Pa×s | 354.58 | Calculated Property |
| η | 0.0009289 | Pa×s | 373.72 | Calculated Property |
| η | 0.0007337 | Pa×s | 392.86 | Calculated Property |
| η | 0.0005924 | Pa×s | 412.00 | Calculated Property |
| η | 0.0004875 | Pa×s | 431.14 | Calculated Property |
| η | 0.0004079 | Pa×s | 450.29 | Calculated Property |
| η | 0.0003462 | Pa×s | 469.43 | Calculated Property |
| η | 0.0002977 | Pa×s | 488.57 | Calculated Property |
| η | 0.0002589 | Pa×s | 507.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [389.88; 564.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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