- InChI
- InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-8-13(15)12(9-11)10-14/h7-10,15H,2-6H2,1H3
- InChI Key
- AKLLVPQDWXRGLG-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CCCCCCc1ccc(O)c(C=O)c1
- Molecular Weight1
- 206.28
- 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° | -92.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.328 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | 1884.00 | NIST | |
| Tboil | 657.78 | K | Joback Calculated Property |
| Tc | 868.90 | K | Joback Calculated Property |
| Tfus | 428.93 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.92; 545.58] | J/mol×K | [657.78; 868.90] | 
|
| Cp,gas | 472.92 | J/mol×K | 657.78 | Joback Calculated Property |
| Cp,gas | 486.80 | J/mol×K | 692.97 | Joback Calculated Property |
| Cp,gas | 499.88 | J/mol×K | 728.15 | Joback Calculated Property |
| Cp,gas | 512.22 | J/mol×K | 763.34 | Joback Calculated Property |
| Cp,gas | 523.91 | J/mol×K | 798.53 | Joback Calculated Property |
| Cp,gas | 535.00 | J/mol×K | 833.71 | Joback Calculated Property |
| Cp,gas | 545.58 | J/mol×K | 868.90 | Joback Calculated Property |
| η | [0.0000258; 0.0007924] | Pa×s | [428.93; 657.78] |
|
| η | 0.0007924 | Pa×s | 428.93 | Joback Calculated Property |
| η | 0.0003547 | Pa×s | 467.07 | Joback Calculated Property |
| η | 0.0001793 | Pa×s | 505.21 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 543.36 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 581.50 | Joback Calculated Property |
| η | 0.0000383 | Pa×s | 619.64 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 657.78 | Joback Calculated Property |
Similar Compounds
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Sources
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