- InChI
- InChI=1S/C12H18O2/c1-4-5-7-10-11(13-2)8-6-9-12(10)14-3/h6,8-9H,4-5,7H2,1-3H3
- InChI Key
- HKRXKZXKXUTCQU-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CCCCc1c(OC)cccc1OC
- Molecular Weight1
- 194.27
- 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 | 0.5972 | Relay (1.0) Calculated Property | |
| ΔfG° | -66.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.046 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Inp | [1422.00; 1422.00] |
|
|
| Inp | 1422.00 | NIST | |
| Inp | 1422.00 | NIST | |
| Tboil | 532.60 | K | Relay (1.0) Calculated Property |
| Tc | 726.00 | K | Relay (1.0) Calculated Property |
| Tfus | 302.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.70; 550.81] | 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 | 3.76730e+01 | |||
| Coefficient B | 8.19560e-01 | |||
| Coefficient C | -3.04120e-04 | |||
| Coefficient D | -2.30000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 336.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 417.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 452.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 483.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 509.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 532.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 550.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011194; 0.0001557] | Pa×s | [320.92; 527.70] |
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 | -1.18287e+01 | |||
| Coefficient B | 1.61544e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 320.92 | |||
| Temperature range, max. | 527.70 | |||
| η | 0.0011194 | Pa×s | 320.92 | Calculated Property |
| η | 0.0007997 | Pa×s | 343.90 | Calculated Property |
| η | 0.0005959 | Pa×s | 366.87 | Calculated Property |
| η | 0.0004597 | Pa×s | 389.85 | Calculated Property |
| η | 0.0003650 | Pa×s | 412.82 | Calculated Property |
| η | 0.0002970 | Pa×s | 435.80 | Calculated Property |
| η | 0.0002467 | Pa×s | 458.78 | Calculated Property |
| η | 0.0002085 | Pa×s | 481.75 | Calculated Property |
| η | 0.0001790 | Pa×s | 504.73 | Calculated Property |
| η | 0.0001557 | Pa×s | 527.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dimethoxy-2-butyl.
Sources
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