- InChI
- InChI=1S/C9H16O2/c1-4-6-8(3)9(10)11-7-5-2/h4,8H,1,5-7H2,2-3H3
- InChI Key
- MKWBXFZFLOSHOD-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- C=CCC(C)C(=O)OCCC
- Molecular Weight1
- 156.22
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4564 | Relay (1.0) Calculated Property | |
| ΔfG° | -123.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Inp | [1029.00; 1029.00] |
|
|
| Inp | 1029.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Tboil | 432.21 | K | Relay (1.0) Calculated Property |
| Tc | 615.74 | K | Relay (1.0) Calculated Property |
| Tfus | 188.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.500 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.61; 376.08] | J/mol×K | [477.85; 658.67] |
|
| Cp,gas | 305.61 | J/mol×K | 477.85 | Joback Calculated Property |
| Cp,gas | 318.63 | J/mol×K | 507.99 | Joback Calculated Property |
| Cp,gas | 331.13 | J/mol×K | 538.12 | Joback Calculated Property |
| Cp,gas | 343.12 | J/mol×K | 568.26 | Joback Calculated Property |
| Cp,gas | 354.60 | J/mol×K | 598.39 | Joback Calculated Property |
| Cp,gas | 365.59 | J/mol×K | 628.53 | Joback Calculated Property |
| Cp,gas | 376.08 | J/mol×K | 658.67 | Joback Calculated Property |
| η | [0.0002296; 0.0043503] | Pa×s | [246.59; 477.85] |
|
| η | 0.0043503 | Pa×s | 246.59 | Joback Calculated Property |
| η | 0.0019129 | Pa×s | 285.13 | Joback Calculated Property |
| η | 0.0010229 | Pa×s | 323.68 | Joback Calculated Property |
| η | 0.0006250 | Pa×s | 362.22 | Joback Calculated Property |
| η | 0.0004198 | Pa×s | 400.76 | Joback Calculated Property |
| η | 0.0003024 | Pa×s | 439.31 | Joback Calculated Property |
| η | 0.0002296 | Pa×s | 477.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 2-methyl-, propyl ester.
Sources
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