- InChI
- InChI=1S/C15H20O5/c1-3-4-8-19-14(16)10-18-11-15(17)20-13-7-5-6-12(2)9-13/h5-7,9H,3-4,8,10-11H2,1-2H3
- InChI Key
- PBHNSVMNNWCRBX-UHFFFAOYSA-N
- Formula
- C15H20O5
- SMILES
- CCCCOC(=O)COCC(=O)Oc1cccc(C)c1
- Molecular Weight1
- 280.32
- 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 | 0.8381 | Relay (1.0) Calculated Property | |
| ΔfG° | -394.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -861.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.260 | Crippen Calculated Property | |
| McVol | 219.200 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [2510.00; 2510.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 617.13 | K | Relay (1.0) Calculated Property |
| Tc | 803.98 | K | Relay (1.0) Calculated Property |
| Tfus | 278.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.91; 693.12] | J/mol×K | [749.26; 951.78] |
|
| Cp,gas | 620.91 | J/mol×K | 749.26 | Joback Calculated Property |
| Cp,gas | 635.35 | J/mol×K | 783.01 | Joback Calculated Property |
| Cp,gas | 648.83 | J/mol×K | 816.77 | Joback Calculated Property |
| Cp,gas | 661.35 | J/mol×K | 850.52 | Joback Calculated Property |
| Cp,gas | 672.91 | J/mol×K | 884.27 | Joback Calculated Property |
| Cp,gas | 683.50 | J/mol×K | 918.02 | Joback Calculated Property |
| Cp,gas | 693.12 | J/mol×K | 951.78 | Joback Calculated Property |
| η | [0.0000811; 0.0006625] | Pa×s | [464.30; 749.26] |
|
| η | 0.0006625 | Pa×s | 464.30 | Joback Calculated Property |
| η | 0.0003969 | Pa×s | 511.79 | Joback Calculated Property |
| η | 0.0002594 | Pa×s | 559.29 | Joback Calculated Property |
| η | 0.0001812 | Pa×s | 606.78 | Joback Calculated Property |
| η | 0.0001333 | Pa×s | 654.27 | Joback Calculated Property |
| η | 0.0001023 | Pa×s | 701.77 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 749.26 | Joback Calculated Property |
Similar Compounds
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Sources
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