- InChI
- InChI=1S/C13H22O4/c1-9(2)8-16-12(14)6-7-13(15)17-11(5)10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+
- InChI Key
- ZHEDLCBRFSJDCE-VOTSOKGWSA-N
- Formula
- C13H22O4
- SMILES
- CC(C)COC(=O)C=CC(=O)OC(C)C(C)C
- Molecular Weight1
- 242.31
- 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 | 0.6724 | Relay (1.0) Calculated Property | |
| ΔfG° | -336.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.329 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Inp | 1535.00 | NIST | |
| Tboil | 525.68 | K | Relay (1.0) Calculated Property |
| Tc | 687.83 | K | Relay (1.0) Calculated Property |
| Tfus | 274.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.27; 629.41] | J/mol×K | [652.26; 843.44] | 
|
| Cp,gas | 548.27 | J/mol×K | 652.26 | Joback Calculated Property |
| Cp,gas | 563.73 | J/mol×K | 684.12 | Joback Calculated Property |
| Cp,gas | 578.41 | J/mol×K | 715.99 | Joback Calculated Property |
| Cp,gas | 592.30 | J/mol×K | 747.85 | Joback Calculated Property |
| Cp,gas | 605.43 | J/mol×K | 779.71 | Joback Calculated Property |
| Cp,gas | 617.79 | J/mol×K | 811.58 | Joback Calculated Property |
| Cp,gas | 629.41 | J/mol×K | 843.44 | Joback Calculated Property |
| η | [0.0000931; 0.0031577] | Pa×s | [330.51; 652.26] |
|
| η | 0.0031577 | Pa×s | 330.51 | Joback Calculated Property |
| η | 0.0011650 | Pa×s | 384.13 | Joback Calculated Property |
| η | 0.0005487 | Pa×s | 437.76 | Joback Calculated Property |
| η | 0.0003046 | Pa×s | 491.38 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 545.01 | Joback Calculated Property |
| η | 0.0001288 | Pa×s | 598.63 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 652.26 | Joback Calculated Property |
Similar Compounds
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Sources
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