- InChI
- InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
- InChI Key
- JTXZPQIXIXYMDY-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- O=C(O)CCCCCc1ccccc1
- Molecular Weight1
- 192.25
- CAS
- 5581-75-9
- Other Names
-
- Benzenehexanoic acid
- 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° | -103.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.874 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2600.00 | kPa | Critica... |
| Tboil | 646.69 | K | Joback Calculated Property |
| Tc | 841.89 | K | Joback Calculated Property |
| Tfus | 362.17 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.96; 490.27] | J/mol×K | [646.69; 841.89] | 
|
| Cp,gas | 424.96 | J/mol×K | 646.69 | Joback Calculated Property |
| Cp,gas | 437.59 | J/mol×K | 679.22 | Joback Calculated Property |
| Cp,gas | 449.48 | J/mol×K | 711.76 | Joback Calculated Property |
| Cp,gas | 460.66 | J/mol×K | 744.29 | Joback Calculated Property |
| Cp,gas | 471.16 | J/mol×K | 776.82 | Joback Calculated Property |
| Cp,gas | 481.02 | J/mol×K | 809.36 | Joback Calculated Property |
| Cp,gas | 490.27 | J/mol×K | 841.89 | Joback Calculated Property |
| η | [0.0000661; 0.0043132] | Pa×s | [362.17; 646.69] |
|
| η | 0.0043132 | Pa×s | 362.17 | Joback Calculated Property |
| η | 0.0014364 | Pa×s | 409.59 | Joback Calculated Property |
| η | 0.0006010 | Pa×s | 457.01 | Joback Calculated Property |
| η | 0.0002962 | Pa×s | 504.43 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 551.85 | Joback Calculated Property |
| η | 0.0001007 | Pa×s | 599.27 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 646.69 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 474.70 | K | 3.20 | NIST |
Similar Compounds
Find more compounds similar to 6-Phenylhexanoic acid.
Sources
- Crippen Method
- Crippen Method
- Critical-Point Measurements for Phenylethanoic to 7-Phenylheptanoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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