- InChI
- InChI=1S/C12H16O/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-10H,2-5H2,1H3
- InChI Key
- NQVZPRUSNWNSQH-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- CCCCCc1ccc(C=O)cc1
- Molecular Weight1
- 176.25
- CAS
- 6853-57-2
- Other Names
-
- p-Pentylbenzaldehyde
- 4-n-Amylbenzaldehyde
- 4-pentylbenzaldehyde
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5762 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.232 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Inp | [1463.00; 1476.00] |
|
|
| Inp | 1476.00 | NIST | |
| Inp | 1476.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1476.00 | NIST | |
| Inp | 1476.00 | NIST | |
| Inp | 1463.00 | NIST | |
| I | 2003.00 | NIST | |
| Tboil | 547.27 | K | Relay (1.0) Calculated Property |
| Tc | 760.04 | K | Relay (1.0) Calculated Property |
| Tfus | 258.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 416.00 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.25; 507.63] | 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 | -1.62260e+01 | |||
| Coefficient B | 9.79920e-01 | |||
| Coefficient C | -5.86160e-04 | |||
| Coefficient D | 1.30100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 309.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 350.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 387.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 418.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 446.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 470.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 490.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 507.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025728; 0.0002742] | Pa×s | [305.94; 531.21] |
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 | -1.12420e+01 | |||
| Coefficient B | 1.61515e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 305.94 | |||
| Temperature range, max. | 531.21 | |||
| η | 0.0025728 | Pa×s | 305.94 | Calculated Property |
| η | 0.0017259 | Pa×s | 330.97 | Calculated Property |
| η | 0.0012246 | Pa×s | 356.00 | Calculated Property |
| η | 0.0009090 | Pa×s | 381.03 | Calculated Property |
| η | 0.0007000 | Pa×s | 406.06 | Calculated Property |
| η | 0.0005556 | Pa×s | 431.09 | Calculated Property |
| η | 0.0004524 | Pa×s | 456.12 | Calculated Property |
| η | 0.0003763 | Pa×s | 481.15 | Calculated Property |
| η | 0.0003187 | Pa×s | 506.18 | Calculated Property |
| η | 0.0002742 | Pa×s | 531.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4-pentyl-.
Sources
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