- InChI
- InChI=1S/C16H26O2/c1-5-6-7-8-9-10-14-11-12-15(17-3)13(2)16(14)18-4/h11-12H,5-10H2,1-4H3
- InChI Key
- MSXNMBAGZAFKKN-UHFFFAOYSA-N
- Formula
- C16H26O2
- SMILES
- CCCCCCCc1ccc(OC)c(C)c1OC
- 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° | -42.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.29 | kJ/mol | Joback Calculated Property |
| log10WS | -5.08 | Crippen Calculated Property | |
| logPoct/wat | 4.525 | Crippen Calculated Property | |
| McVol | 224.280 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | [1812.00; 1812.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Tboil | 651.94 | K | Joback Calculated Property |
| Tc | 841.67 | K | Joback Calculated Property |
| Tfus | 378.52 | 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; 697.97] | J/mol×K | [651.94; 841.67] |
|
| Cp,gas | 604.00 | J/mol×K | 651.94 | Joback Calculated Property |
| Cp,gas | 621.71 | J/mol×K | 683.56 | Joback Calculated Property |
| Cp,gas | 638.60 | J/mol×K | 715.18 | Joback Calculated Property |
| Cp,gas | 654.67 | J/mol×K | 746.81 | Joback Calculated Property |
| Cp,gas | 669.92 | J/mol×K | 778.43 | Joback Calculated Property |
| Cp,gas | 684.35 | J/mol×K | 810.05 | Joback Calculated Property |
| Cp,gas | 697.97 | J/mol×K | 841.67 | Joback Calculated Property |
| η | [0.0000914; 0.0007852] | Pa×s | [378.52; 651.94] |
|
| η | 0.0007852 | Pa×s | 378.52 | Joback Calculated Property |
| η | 0.0004526 | Pa×s | 424.09 | Joback Calculated Property |
| η | 0.0002903 | Pa×s | 469.66 | Joback Calculated Property |
| η | 0.0002014 | Pa×s | 515.23 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 560.80 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 606.37 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 651.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dimethoxy-4-heptyl-2-methyl.
Sources
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