- InChI
- InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
- InChI Key
- BYHDDXPKOZIZRV-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- O=C(O)CCCCc1ccccc1
- Molecular Weight1
- 178.23
- CAS
- 2270-20-4
- Other Names
-
- 5-Phenylpentanoic acid
- Benzenepentanoic-acid-
- Phenylpentanoic acid
- Phenylvaleric acid
- Valeric acid, 5-phenyl-
- «delta»-Phenylvaleric acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 0.7628 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.43 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 119.40 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 97.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.484 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2950.00 | kPa | Critical-Point Measurements for Phenylethanoic to 7-Phenylheptanoic Acids |
| Tboil | 581.11 | K | Relay (1.0) Calculated Property |
| Tc | 794.24 | K | Relay (1.0) Calculated Property |
| Tfus | 318.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.23; 444.86] | J/mol×K | [623.47; 839.63] | 
|
| Cp,gas | 378.23 | J/mol×K | 623.47 | Joback Calculated Property |
| Cp,gas | 391.35 | J/mol×K | 659.50 | Joback Calculated Property |
| Cp,gas | 403.60 | J/mol×K | 695.52 | Joback Calculated Property |
| Cp,gas | 415.03 | J/mol×K | 731.55 | Joback Calculated Property |
| Cp,gas | 425.68 | J/mol×K | 767.58 | Joback Calculated Property |
| Cp,gas | 435.61 | J/mol×K | 803.61 | Joback Calculated Property |
| Cp,gas | 444.86 | J/mol×K | 839.63 | Joback Calculated Property |
| η | [0.0001946; 0.0013207] | Pa×s | [400.75; 623.47] |
|
| η | 0.0013207 | Pa×s | 400.75 | Joback Calculated Property |
| η | 0.0008383 | Pa×s | 437.87 | Joback Calculated Property |
| η | 0.0005713 | Pa×s | 474.99 | Joback Calculated Property |
| η | 0.0004116 | Pa×s | 512.11 | Joback Calculated Property |
| η | 0.0003100 | Pa×s | 549.23 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 586.35 | Joback Calculated Property |
| η | 0.0001946 | Pa×s | 623.47 | Joback Calculated Property |
| ΔfusH | 23.40 | kJ/mol | 332.00 | NIST |
| ΔsubH | 118.50 ± 0.80 | kJ/mol | 321.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 450.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Critical-Point Measurements for Phenylethanoic to 7-Phenylheptanoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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