- InChI
- InChI=1S/C13H20O/c1-3-4-5-9-14-11-13-8-6-7-12(2)10-13/h6-8,10H,3-5,9,11H2,1-2H3
- InChI Key
- DGQCCFUWTJKWDU-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CCCCCOCc1cccc(C)c1
- Molecular Weight1
- 192.30
- 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).
- 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 | 0.5853 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.702 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2129.52 | kPa | Joback Calculated Property |
| Inp | 1454.00 | NIST | |
| Tboil | 511.16 | K | Relay (1.0) Calculated Property |
| Tc | 731.63 | K | Relay (1.0) Calculated Property |
| Tfus | 212.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.59; 509.71] | J/mol×K | [551.12; 747.27] | 
|
| Cp,gas | 420.59 | J/mol×K | 551.12 | Joback Calculated Property |
| Cp,gas | 437.41 | J/mol×K | 583.81 | Joback Calculated Property |
| Cp,gas | 453.42 | J/mol×K | 616.50 | Joback Calculated Property |
| Cp,gas | 468.63 | J/mol×K | 649.20 | Joback Calculated Property |
| Cp,gas | 483.08 | J/mol×K | 681.89 | Joback Calculated Property |
| Cp,gas | 496.76 | J/mol×K | 714.58 | Joback Calculated Property |
| Cp,gas | 509.71 | J/mol×K | 747.27 | Joback Calculated Property |
| η | [0.0001550; 0.0019570] | Pa×s | [297.44; 551.12] |
|
| η | 0.0019570 | Pa×s | 297.44 | Joback Calculated Property |
| η | 0.0009858 | Pa×s | 339.72 | Joback Calculated Property |
| η | 0.0005780 | Pa×s | 382.00 | Joback Calculated Property |
| η | 0.0003769 | Pa×s | 424.28 | Joback Calculated Property |
| η | 0.0002656 | Pa×s | 466.56 | Joback Calculated Property |
| η | 0.0001984 | Pa×s | 508.84 | Joback Calculated Property |
| η | 0.0001550 | Pa×s | 551.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Methylphenyl) methanol, n-pentyl ether.
Sources
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