- 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° | 68.34 | 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 | 757.51 | K | Relay (1.0) Calculated Property |
| Tfus | 265.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.99; 446.62] | J/mol×K | [554.28; 758.60] |
|
| Cp,gas | 368.99 | J/mol×K | 554.28 | Joback Calculated Property |
| Cp,gas | 383.90 | J/mol×K | 588.33 | Joback Calculated Property |
| Cp,gas | 397.97 | J/mol×K | 622.39 | Joback Calculated Property |
| Cp,gas | 411.25 | J/mol×K | 656.44 | Joback Calculated Property |
| Cp,gas | 423.76 | J/mol×K | 690.49 | Joback Calculated Property |
| Cp,gas | 435.54 | J/mol×K | 724.54 | Joback Calculated Property |
| Cp,gas | 446.62 | J/mol×K | 758.60 | Joback Calculated Property |
| η | [0.0002416; 0.0025728] | Pa×s | [305.94; 554.28] |
|
| η | 0.0025728 | Pa×s | 305.94 | Joback Calculated Property |
| η | 0.0013715 | Pa×s | 347.33 | Joback Calculated Property |
| η | 0.0008359 | Pa×s | 388.72 | Joback Calculated Property |
| η | 0.0005604 | Pa×s | 430.11 | Joback Calculated Property |
| η | 0.0004030 | Pa×s | 471.50 | Joback Calculated Property |
| η | 0.0003057 | Pa×s | 512.89 | Joback Calculated Property |
| η | 0.0002416 | Pa×s | 554.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 416.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4-pentyl-.
Sources
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