- InChI
- InChI=1S/C16H26O2/c1-4-5-6-7-8-9-11-14-15(17-2)12-10-13-16(14)18-3/h10,12-13H,4-9,11H2,1-3H3
- InChI Key
- NJKIZYQPPYEBRG-UHFFFAOYSA-N
- Formula
- C16H26O2
- SMILES
- CCCCCCCCc1c(OC)cccc1OC
- Molecular Weight1
- 250.38
- 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° | -33.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.607 | Crippen Calculated Property | |
| McVol | 224.280 | ml/mol | McGowan Calculated Property |
| Pc | 1616.77 | kPa | Joback Calculated Property |
| Inp | [1810.00; 1810.00] |
|
|
| Inp | 1810.00 | NIST | |
| Inp | 1810.00 | NIST | |
| Tboil | 646.96 | K | Joback Calculated Property |
| Tc | 835.82 | K | Joback Calculated Property |
| Tfus | 366.00 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.00; 698.63] | J/mol×K | [646.96; 835.82] |
|
| Cp,gas | 604.00 | J/mol×K | 646.96 | Joback Calculated Property |
| Cp,gas | 621.87 | J/mol×K | 678.44 | Joback Calculated Property |
| Cp,gas | 638.89 | J/mol×K | 709.91 | Joback Calculated Property |
| Cp,gas | 655.07 | J/mol×K | 741.39 | Joback Calculated Property |
| Cp,gas | 670.42 | J/mol×K | 772.87 | Joback Calculated Property |
| Cp,gas | 684.93 | J/mol×K | 804.35 | Joback Calculated Property |
| Cp,gas | 698.63 | J/mol×K | 835.82 | Joback Calculated Property |
| η | [0.0000922; 0.0009798] | Pa×s | [366.00; 646.96] |
|
| η | 0.0009798 | Pa×s | 366.00 | Joback Calculated Property |
| η | 0.0005285 | Pa×s | 412.83 | Joback Calculated Property |
| η | 0.0003232 | Pa×s | 459.65 | Joback Calculated Property |
| η | 0.0002165 | Pa×s | 506.48 | Joback Calculated Property |
| η | 0.0001552 | Pa×s | 553.31 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 600.13 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 646.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dimethoxy-2-octyl.
Sources
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