- InChI
- InChI=1S/C10H14O2/c1-7-5-9(11-3)8(2)10(6-7)12-4/h5-6H,1-4H3
- InChI Key
- GIUXLBFXMAOOQJ-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- COc1cc(C)cc(OC)c1C
- Molecular Weight1
- 166.22
- 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 | 0.5290 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.321 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | 1328.00 | NIST | |
| Tboil | 510.34 | K | Relay (1.0) Calculated Property |
| Tc | 709.10 | K | Relay (1.0) Calculated Property |
| Tfus | 316.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.82; 444.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.37900e+01 | |||
| Coefficient B | 5.70080e-01 | |||
| Coefficient C | -1.28280e-04 | |||
| Coefficient D | -5.10000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 237.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 273.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 306.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 337.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 365.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 389.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 411.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 429.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 444.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008526; 0.0001565] | Pa×s | [310.90; 503.98] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14927e+01 | |||
| Coefficient B | 1.37586e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 310.90 | |||
| Temperature range, max. | 503.98 | |||
| η | 0.0008526 | Pa×s | 310.90 | Calculated Property |
| η | 0.0006407 | Pa×s | 332.35 | Calculated Property |
| η | 0.0004985 | Pa×s | 353.81 | Calculated Property |
| η | 0.0003991 | Pa×s | 375.26 | Calculated Property |
| η | 0.0003273 | Pa×s | 396.71 | Calculated Property |
| η | 0.0002740 | Pa×s | 418.17 | Calculated Property |
| η | 0.0002333 | Pa×s | 439.62 | Calculated Property |
| η | 0.0002017 | Pa×s | 461.07 | Calculated Property |
| η | 0.0001767 | Pa×s | 482.53 | Calculated Property |
| η | 0.0001565 | Pa×s | 503.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dimethoxy-2,5-dimethyl.
Sources
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