- InChI
- InChI=1S/C11H14O2/c1-2-3-4-9-5-6-11(13)10(7-9)8-12/h5-8,13H,2-4H2,1H3
- InChI Key
- RMXFTNYYIDMHAB-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCCCc1ccc(O)c(C=O)c1
- Molecular Weight1
- 178.23
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.6868 | Relay (1.0) Calculated Property | |
| ΔfusH° | 25.97 | kJ/mol | Joback Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.547 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Inp | [1684.00; 1684.00] |
|
|
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Tboil | 552.07 | K | Relay (1.0) Calculated Property |
| Tc | 797.81 | K | Relay (1.0) Calculated Property |
| Tfus | 287.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.528 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.93; 478.46] | 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 | -2.42370e+01 | |||
| Coefficient B | 1.03952e+00 | |||
| Coefficient C | -7.88120e-04 | |||
| Coefficient D | 2.51300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 256.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 336.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 396.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 420.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 441.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 460.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 478.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011070; 0.0000558] | Pa×s | [406.39; 581.40] |
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 | -1.67319e+01 | |||
| Coefficient B | 4.03377e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 406.39 | |||
| Temperature range, max. | 581.40 | |||
| η | 0.0011070 | Pa×s | 406.39 | Calculated Property |
| η | 0.0007036 | Pa×s | 425.84 | Calculated Property |
| η | 0.0004652 | Pa×s | 445.28 | Calculated Property |
| η | 0.0003185 | Pa×s | 464.73 | Calculated Property |
| η | 0.0002247 | Pa×s | 484.17 | Calculated Property |
| η | 0.0001629 | Pa×s | 503.62 | Calculated Property |
| η | 0.0001210 | Pa×s | 523.06 | Calculated Property |
| η | 0.0000917 | Pa×s | 542.51 | Calculated Property |
| η | 0.0000709 | Pa×s | 561.95 | Calculated Property |
| η | 0.0000558 | Pa×s | 581.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2-hydroxy, 5-butyl.
Sources
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