- InChI
- InChI=1S/C11H14O2/c1-2-3-4-9-5-6-11(13)10(7-9)8-12/h5-8,13H,2-4H2,1H3
- InChI Key
- RMXFTNYYIDMHAB-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCCCc1ccc(O)c(C=O)c1
- Molecular Weight1
- 178.23
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -109.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.547 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Inp | [1684.00; 1684.00] |
|
|
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Tboil | 612.02 | K | Joback Calculated Property |
| Tc | 830.29 | K | Joback Calculated Property |
| Tfus | 406.39 | K | Joback Calculated Property |
| Vc | 0.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.37; 439.39] | J/mol×K | [612.02; 830.29] |
|
| Cp,gas | 374.37 | J/mol×K | 612.02 | Joback Calculated Property |
| Cp,gas | 386.95 | J/mol×K | 648.40 | Joback Calculated Property |
| Cp,gas | 398.73 | J/mol×K | 684.78 | Joback Calculated Property |
| Cp,gas | 409.79 | J/mol×K | 721.16 | Joback Calculated Property |
| Cp,gas | 420.21 | J/mol×K | 757.54 | Joback Calculated Property |
| Cp,gas | 430.05 | J/mol×K | 793.91 | Joback Calculated Property |
| Cp,gas | 439.39 | J/mol×K | 830.29 | Joback Calculated Property |
| η | [0.0000394; 0.0011070] | Pa×s | [406.39; 612.02] |
|
| η | 0.0011070 | Pa×s | 406.39 | Joback Calculated Property |
| η | 0.0005116 | Pa×s | 440.66 | Joback Calculated Property |
| η | 0.0002643 | Pa×s | 474.93 | Joback Calculated Property |
| η | 0.0001492 | Pa×s | 509.20 | Joback Calculated Property |
| η | 0.0000905 | Pa×s | 543.48 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 577.75 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 612.02 | Joback Calculated Property |
Similar Compounds
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Sources
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