- InChI
- InChI=1S/C8H14O3/c1-3-4-5-6-11-8(10)7(2)9/h3-6H2,1-2H3
- InChI Key
- LRMNRSQAFOMTLU-UHFFFAOYSA-N
- Formula
- C8H14O3
- SMILES
- CCCCCOC(=O)C(C)=O
- Molecular Weight1
- 158.19
- 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 | 0.5864 | Relay (... Calculated Property | |
| ΔfG° | -346.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.76 | kJ/mol | Relay (... Calculated Property |
| IE | 9.58 | eV | Relay (... Calculated Property |
| log10WS | -1.76 | Relay (... Calculated Property | |
| logPoct/wat | 1.309 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| Inp | 1067.00 | NIST | |
| Tboil | 461.32 | K | Relay (... Calculated Property |
| Tc | 651.87 | K | Relay (... Calculated Property |
| Tfus | 247.68 | K | Relay (... Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.67; 361.25] | J/mol×K | [512.60; 697.35] | 
|
| Cp,gas | 298.67 | J/mol×K | 512.60 | Joback Calculated Property |
| Cp,gas | 310.25 | J/mol×K | 543.39 | Joback Calculated Property |
| Cp,gas | 321.37 | J/mol×K | 574.18 | Joback Calculated Property |
| Cp,gas | 332.03 | J/mol×K | 604.98 | Joback Calculated Property |
| Cp,gas | 342.23 | J/mol×K | 635.77 | Joback Calculated Property |
| Cp,gas | 351.97 | J/mol×K | 666.56 | Joback Calculated Property |
| Cp,gas | 361.25 | J/mol×K | 697.35 | Joback Calculated Property |
| η | [0.0002790; 0.0027356] | Pa×s | [302.01; 512.60] |
|
| η | 0.0027356 | Pa×s | 302.01 | Joback Calculated Property |
| η | 0.0015339 | Pa×s | 337.11 | Joback Calculated Property |
| η | 0.0009592 | Pa×s | 372.21 | Joback Calculated Property |
| η | 0.0006504 | Pa×s | 407.31 | Joback Calculated Property |
| η | 0.0004690 | Pa×s | 442.40 | Joback Calculated Property |
| η | 0.0003549 | Pa×s | 477.50 | Joback Calculated Property |
| η | 0.0002790 | Pa×s | 512.60 | Joback Calculated Property |
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Sources
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