- InChI
- InChI=1S/C11H16O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h6-9H,3-5H2,1-2H3
- InChI Key
- PRBLRGZSVKMPDX-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CCCCc1ccc(OC)cc1
- Molecular Weight1
- 164.24
- CAS
- 18272-84-9
- 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).
- 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 | 0.5232 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 ± 0.10 | eV | NIST |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Tboil | 506.79 | K | Relay (1.0) Calculated Property |
| Tc | 702.06 | K | Relay (1.0) Calculated Property |
| Tfus | 235.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.53; 483.76] | 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 | -1.21700e+00 | |||
| Coefficient B | 8.47240e-01 | |||
| Coefficient C | -4.27760e-04 | |||
| Coefficient D | 6.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 199.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 291.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 330.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 365.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 396.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 423.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 447.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 467.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 483.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019708; 0.0001888] | Pa×s | [274.90; 494.90] |
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 | -1.15056e+01 | |||
| Coefficient B | 1.45045e+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. | 274.90 | |||
| Temperature range, max. | 494.90 | |||
| η | 0.0019708 | Pa×s | 274.90 | Calculated Property |
| η | 0.0012809 | Pa×s | 299.34 | Calculated Property |
| η | 0.0008885 | Pa×s | 323.79 | Calculated Property |
| η | 0.0006487 | Pa×s | 348.23 | Calculated Property |
| η | 0.0004937 | Pa×s | 372.68 | Calculated Property |
| η | 0.0003885 | Pa×s | 397.12 | Calculated Property |
| η | 0.0003143 | Pa×s | 421.57 | Calculated Property |
| η | 0.0002603 | Pa×s | 446.01 | Calculated Property |
| η | 0.0002198 | Pa×s | 470.46 | Calculated Property |
| η | 0.0001888 | Pa×s | 494.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-4-methoxy-.
Sources
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