- InChI
- InChI=1S/C14H20O2/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3
- InChI Key
- YBCKMIZXHKVONZ-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCCCCCOc1ccc(C=O)cc1
- Molecular Weight1
- 220.31
- CAS
- 27893-41-0
- Other Names
-
- 4-n-Heptyloxybenzaldehyde
- 4-(Heptyloxy)benzaldehyde
- p-Heptyloxybenzaldehyde
- p-n-Heptoxybenzaldehyde
- 4-n-Heptoxybenzaldehyde
- p-n-Heptyloxybenzaldehyde
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -34.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 3.848 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2086.93 | kPa | Joback Calculated Property |
| Tboil | 622.46 | K | Joback Calculated Property |
| Tc | 819.31 | K | Joback Calculated Property |
| Tfus | 350.71 | K | Joback Calculated Property |
| Vc | 0.747 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.99; 576.71] | J/mol×K | [622.46; 819.31] | 
|
| Cp,gas | 493.99 | J/mol×K | 622.46 | Joback Calculated Property |
| Cp,gas | 509.80 | J/mol×K | 655.27 | Joback Calculated Property |
| Cp,gas | 524.77 | J/mol×K | 688.08 | Joback Calculated Property |
| Cp,gas | 538.93 | J/mol×K | 720.89 | Joback Calculated Property |
| Cp,gas | 552.29 | J/mol×K | 753.70 | Joback Calculated Property |
| Cp,gas | 564.88 | J/mol×K | 786.51 | Joback Calculated Property |
| Cp,gas | 576.71 | J/mol×K | 819.31 | Joback Calculated Property |
| η | [0.0001650; 0.0018135] | Pa×s | [350.71; 622.46] |
|
| η | 0.0018135 | Pa×s | 350.71 | Joback Calculated Property |
| η | 0.0009678 | Pa×s | 396.00 | Joback Calculated Property |
| η | 0.0005876 | Pa×s | 441.29 | Joback Calculated Property |
| η | 0.0003914 | Pa×s | 486.59 | Joback Calculated Property |
| η | 0.0002795 | Pa×s | 531.88 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 577.17 | Joback Calculated Property |
| η | 0.0001650 | Pa×s | 622.46 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 426.00 ± 1.00 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4-(heptyloxy)-.
Sources
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