- InChI
- InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)
- InChI Key
- UIUWNILCHFBLEQ-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- CC=CCC(=O)O
- Molecular Weight1
- 100.12
- CAS
- 5204-64-8
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -2676.10 ± 2.10 | kJ/mol | NIST |
| ΔfH°gas | -387.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4124.99 | kPa | Joback Calculated Property |
| Tboil | 458.57 | K | Relay (1.0) Calculated Property |
| Tc | 648.68 | K | Relay (1.0) Calculated Property |
| Tfus | 269.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.00 ± 1.00 | K | 2.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.17; 257.48] | 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 | -1.12390e+01 | |||
| Coefficient B | 5.49620e-01 | |||
| Coefficient C | -4.04600e-04 | |||
| Coefficient D | 1.23700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 138.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 181.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 198.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 213.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 226.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 238.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 248.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 257.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014809; 0.0002503] | Pa×s | [301.63; 464.96] |
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 | -1.15757e+01 | |||
| Coefficient B | 1.52642e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 301.63 | |||
| Temperature range, max. | 464.96 | |||
| η | 0.0014809 | Pa×s | 301.63 | Calculated Property |
| η | 0.0011112 | Pa×s | 319.78 | Calculated Property |
| η | 0.0008600 | Pa×s | 337.93 | Calculated Property |
| η | 0.0006831 | Pa×s | 356.07 | Calculated Property |
| η | 0.0005549 | Pa×s | 374.22 | Calculated Property |
| η | 0.0004595 | Pa×s | 392.37 | Calculated Property |
| η | 0.0003869 | Pa×s | 410.52 | Calculated Property |
| η | 0.0003305 | Pa×s | 428.66 | Calculated Property |
| η | 0.0002860 | Pa×s | 446.81 | Calculated Property |
| η | 0.0002503 | Pa×s | 464.96 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [354.92; 494.42] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55457e+01 | |||
| Coefficient B | -4.33606e+03 | |||
| Coefficient C | -7.07400e+01 | |||
| Temperature range, min. | 354.92 | |||
| Temperature range, max. | 494.42 | |||
| Pvap | 1.33 | kPa | 354.92 | Calculated Property |
| Pvap | 2.94 | kPa | 370.42 | Calculated Property |
| Pvap | 5.98 | kPa | 385.92 | Calculated Property |
| Pvap | 11.40 | kPa | 401.42 | Calculated Property |
| Pvap | 20.50 | kPa | 416.92 | Calculated Property |
| Pvap | 35.06 | kPa | 432.42 | Calculated Property |
| Pvap | 57.38 | kPa | 447.92 | Calculated Property |
| Pvap | 90.33 | kPa | 463.42 | Calculated Property |
| Pvap | 137.39 | kPa | 478.92 | Calculated Property |
| Pvap | 202.64 | kPa | 494.42 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-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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