- InChI
- InChI=1S/C15H20O2/c1-2-3-5-12-8-10-13(11-9-12)15(16)17-14-6-4-7-14/h8-11,14H,2-7H2,1H3
- InChI Key
- ZTHKVMBWGQYZRK-UHFFFAOYSA-N
- Formula
- C15H20O2
- SMILES
- CCCCc1ccc(C(=O)OC2CCC2)cc1
- Molecular Weight1
- 232.32
- 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 | 0.6865 | Relay (1.0) Calculated Property | |
| ΔfG° | -7.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.739 | Crippen Calculated Property | |
| McVol | 195.030 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [1857.40; 1857.40] |
|
|
| Inp | 1857.40 | NIST | |
| Inp | 1857.40 | NIST | |
| Tboil | 595.05 | K | Relay (1.0) Calculated Property |
| Tc | 801.65 | K | Relay (1.0) Calculated Property |
| Tfus | 242.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.87; 624.79] | J/mol×K | [661.56; 878.98] |
|
| Cp,gas | 533.87 | J/mol×K | 661.56 | Joback Calculated Property |
| Cp,gas | 551.73 | J/mol×K | 697.80 | Joback Calculated Property |
| Cp,gas | 568.44 | J/mol×K | 734.03 | Joback Calculated Property |
| Cp,gas | 584.05 | J/mol×K | 770.27 | Joback Calculated Property |
| Cp,gas | 598.62 | J/mol×K | 806.51 | Joback Calculated Property |
| Cp,gas | 612.18 | J/mol×K | 842.74 | Joback Calculated Property |
| Cp,gas | 624.79 | J/mol×K | 878.98 | Joback Calculated Property |
| η | [0.0002597; 0.0017903] | Pa×s | [384.33; 661.56] |
|
| η | 0.0017903 | Pa×s | 384.33 | Joback Calculated Property |
| η | 0.0010919 | Pa×s | 430.54 | Joback Calculated Property |
| η | 0.0007329 | Pa×s | 476.74 | Joback Calculated Property |
| η | 0.0005279 | Pa×s | 522.94 | Joback Calculated Property |
| η | 0.0004010 | Pa×s | 569.15 | Joback Calculated Property |
| η | 0.0003175 | Pa×s | 615.36 | Joback Calculated Property |
| η | 0.0002597 | Pa×s | 661.56 | Joback Calculated Property |
Similar Compounds
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Sources
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