- InChI
- InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h5-7,13H,3-4H2,1-2H3
- InChI Key
- DPEYEJOFAHQWJI-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- COc1cc(CCC=O)cc(OC)c1O
- Molecular Weight1
- 210.23
- 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 | 0.7724 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.541 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [1753.00; 1836.00] |
|
|
| Inp | 1836.00 | NIST | |
| Inp | 1753.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Tboil | 591.63 | K | Relay (1.0) Calculated Property |
| Tc | 807.81 | K | Relay (1.0) Calculated Property |
| Tfus | 359.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.28; 484.36] | J/mol×K | [661.84; 875.91] |
|
| Cp,gas | 421.28 | J/mol×K | 661.84 | Joback Calculated Property |
| Cp,gas | 433.31 | J/mol×K | 697.52 | Joback Calculated Property |
| Cp,gas | 444.69 | J/mol×K | 733.20 | Joback Calculated Property |
| Cp,gas | 455.45 | J/mol×K | 768.88 | Joback Calculated Property |
| Cp,gas | 465.63 | J/mol×K | 804.56 | Joback Calculated Property |
| Cp,gas | 475.26 | J/mol×K | 840.23 | Joback Calculated Property |
| Cp,gas | 484.36 | J/mol×K | 875.91 | Joback Calculated Property |
| η | [0.0000192; 0.0002966] | Pa×s | [463.37; 661.84] |
|
| η | 0.0002966 | Pa×s | 463.37 | Joback Calculated Property |
| η | 0.0001615 | Pa×s | 496.45 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 529.53 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 562.61 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 595.68 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 628.76 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 661.84 | Joback Calculated Property |
Similar Compounds
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Sources
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