- InChI
- InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
- InChI Key
- YIYBQIKDCADOSF-ONEGZZNKSA-N
- Formula
- C5H8O2
- SMILES
- CCC=CC(=O)O
- Molecular Weight1
- 100.12
- CAS
- 13991-37-2
- Other Names
-
- (2E)-2-Pentenoic acid
- (E)-2-Pentenoic acid
- (E)-pent-2-en-1-oic acid
- 2-Pentenoic acid, (E)-
- trans-Alpha,beta-penteneoic acid
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 | 0.6035 | Relay (1.0) Calculated Property | |
| PAff | 823.60 | kJ/mol | NIST |
| BasG | 792.60 | kJ/mol | NIST |
| ΔcH°liquid | -4020.00 | kJ/mol | NIST |
| ΔfG° | -272.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4350.56 ± 100.00 | kPa | NIST |
| Tboil | 451.47 | K | Relay (1.0) Calculated Property |
| Tc | 676.92 ± 3.00 | K | NIST |
| Tfus | 314.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.298 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.95; 211.58] | J/mol×K | [463.67; 664.23] | 
|
| Cp,gas | 168.95 | J/mol×K | 463.67 | Joback Calculated Property |
| Cp,gas | 177.19 | J/mol×K | 497.10 | Joback Calculated Property |
| Cp,gas | 184.94 | J/mol×K | 530.52 | Joback Calculated Property |
| Cp,gas | 192.23 | J/mol×K | 563.95 | Joback Calculated Property |
| Cp,gas | 199.08 | J/mol×K | 597.38 | Joback Calculated Property |
| Cp,gas | 205.52 | J/mol×K | 630.80 | Joback Calculated Property |
| Cp,gas | 211.58 | J/mol×K | 664.23 | Joback Calculated Property |
| η | [0.0002526; 0.0014809] | Pa×s | [301.63; 463.67] |
|
| η | 0.0014809 | Pa×s | 301.63 | Joback Calculated Property |
| η | 0.0009771 | Pa×s | 328.64 | Joback Calculated Property |
| η | 0.0006867 | Pa×s | 355.64 | Joback Calculated Property |
| η | 0.0005072 | Pa×s | 382.65 | Joback Calculated Property |
| η | 0.0003899 | Pa×s | 409.66 | Joback Calculated Property |
| η | 0.0003097 | Pa×s | 436.66 | Joback Calculated Property |
| η | 0.0002526 | Pa×s | 463.67 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [360.55; 494.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45186e+01 | |||
| Coefficient B | -3.48091e+03 | |||
| Coefficient C | -1.15948e+02 | |||
| Temperature range, min. | 360.55 | |||
| Temperature range, max. | 494.02 | |||
| Pvap | 1.33 | kPa | 360.55 | Calculated Property |
| Pvap | 3.01 | kPa | 375.38 | Calculated Property |
| Pvap | 6.21 | kPa | 390.21 | Calculated Property |
| Pvap | 11.91 | kPa | 405.04 | Calculated Property |
| Pvap | 21.44 | kPa | 419.87 | Calculated Property |
| Pvap | 36.53 | kPa | 434.70 | Calculated Property |
| Pvap | 59.36 | kPa | 449.53 | Calculated Property |
| Pvap | 92.55 | kPa | 464.36 | Calculated Property |
| Pvap | 139.17 | kPa | 479.19 | Calculated Property |
| Pvap | 202.67 | kPa | 494.02 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Pentenoic 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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