- InChI
- InChI=1S/C13H20O2/c1-5-6-7-11-12(14-3)8-10(2)9-13(11)15-4/h8-9H,5-7H2,1-4H3
- InChI Key
- SRSJHOHVTWICQC-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- CCCCc1c(OC)cc(C)cc1OC
- Molecular Weight1
- 208.30
- 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).
- 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 | 0.6391 | Relay (... Calculated Property | |
| ΔfG° | -67.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.18 | kJ/mol | Relay (... Calculated Property |
| IE | 7.70 | eV | Relay (... Calculated Property |
| log10WS | -4.21 | Relay (... Calculated Property | |
| logPoct/wat | 3.355 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Pc | 2040.07 | kPa | Joback Calculated Property |
| Inp | [1523.00; 1523.00] |
|
|
| Inp | 1523.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Tboil | 545.12 | K | Relay (... Calculated Property |
| Tc | 736.17 | K | Relay (... Calculated Property |
| Tfus | 303.56 | K | Relay (... Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.62; 533.34] | J/mol×K | [583.30; 779.75] |
|
| Cp,gas | 447.62 | J/mol×K | 583.30 | Joback Calculated Property |
| Cp,gas | 463.63 | J/mol×K | 616.04 | Joback Calculated Property |
| Cp,gas | 478.96 | J/mol×K | 648.78 | Joback Calculated Property |
| Cp,gas | 493.59 | J/mol×K | 681.53 | Joback Calculated Property |
| Cp,gas | 507.54 | J/mol×K | 714.27 | Joback Calculated Property |
| Cp,gas | 520.79 | J/mol×K | 747.01 | Joback Calculated Property |
| Cp,gas | 533.34 | J/mol×K | 779.75 | Joback Calculated Property |
| η | [0.0001208; 0.0008646] | Pa×s | [344.71; 583.30] |
|
| η | 0.0008646 | Pa×s | 344.71 | Joback Calculated Property |
| η | 0.0005257 | Pa×s | 384.48 | Joback Calculated Property |
| η | 0.0003509 | Pa×s | 424.24 | Joback Calculated Property |
| η | 0.0002510 | Pa×s | 464.00 | Joback Calculated Property |
| η | 0.0001893 | Pa×s | 503.77 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 543.53 | Joback Calculated Property |
| η | 0.0001208 | Pa×s | 583.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dimethoxy-2-butyl-5-methyl.
Sources
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