- InChI
- InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
- InChI Key
- HVAMZGADVCBITI-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C=CCCC(=O)O
- Molecular Weight1
- 100.12
- CAS
- 591-80-0
- Other Names
-
- 4 PA
- Allylacetic acid
- Pent-4-enoic acid
- «delta»4-Pentenoic acid
- «delta»4-Pentenoic acid
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -2680.30 ± 2.50 | kJ/mol | NIST |
| ΔfG° | -186.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.80 ± 0.40 | kJ/mol | NIST |
| log10WS | -0.87 | Crippen Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4074.47 ± 100.00 | kPa | NIST |
| Tboil | 461.70 | K | NIST |
| Tc | 659.75 ± 3.00 | K | NIST |
| Tfus | 255.10 | K | Joback Calculated Property |
| Vc | 0.322 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.58; 205.68] | J/mol×K | [456.53; 632.58] | 
|
| Cp,gas | 167.58 | J/mol×K | 456.53 | Joback Calculated Property |
| Cp,gas | 174.70 | J/mol×K | 485.87 | Joback Calculated Property |
| Cp,gas | 181.49 | J/mol×K | 515.21 | Joback Calculated Property |
| Cp,gas | 187.98 | J/mol×K | 544.55 | Joback Calculated Property |
| Cp,gas | 194.17 | J/mol×K | 573.90 | Joback Calculated Property |
| Cp,gas | 200.07 | J/mol×K | 603.24 | Joback Calculated Property |
| Cp,gas | 205.68 | J/mol×K | 632.58 | Joback Calculated Property |
| η | [0.0002467; 0.0255100] | Pa×s | [255.10; 456.53] |
|
| η | 0.0255100 | Pa×s | 255.10 | Joback Calculated Property |
| η | 0.0075116 | Pa×s | 288.67 | Joback Calculated Property |
| η | 0.0028535 | Pa×s | 322.24 | Joback Calculated Property |
| η | 0.0013013 | Pa×s | 355.81 | Joback Calculated Property |
| η | 0.0006794 | Pa×s | 389.39 | Joback Calculated Property |
| η | 0.0003933 | Pa×s | 422.96 | Joback Calculated Property |
| η | 0.0002467 | Pa×s | 456.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 356.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [353.93; 496.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36445e+01 | |||
| Coefficient B | -3.16277e+03 | |||
| Coefficient C | -1.17145e+02 | |||
| Temperature range, min. | 353.93 | |||
| Temperature range, max. | 496.69 | |||
| Pvap | 1.33 | kPa | 353.93 | Calculated Property |
| Pvap | 3.08 | kPa | 369.79 | Calculated Property |
| Pvap | 6.46 | kPa | 385.65 | Calculated Property |
| Pvap | 12.46 | kPa | 401.52 | Calculated Property |
| Pvap | 22.42 | kPa | 417.38 | Calculated Property |
| Pvap | 38.04 | kPa | 433.24 | Calculated Property |
| Pvap | 61.37 | kPa | 449.10 | Calculated Property |
| Pvap | 94.76 | kPa | 464.97 | Calculated Property |
| Pvap | 140.89 | kPa | 480.83 | Calculated Property |
| Pvap | 202.64 | kPa | 496.69 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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