- InChI
- InChI=1S/C11H14O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
- InChI Key
- PPIQQNDMGXNRFA-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCC(C(=O)OC)c1ccccc1
- Molecular Weight1
- 178.23
- CAS
- 2294-71-5
- Other Names
-
- Butyric acid, 2-phenyl-, methyl ester
- Methyl «alpha»-phenylbutyrate
- Methyl 2-phenylbutyrate
- (.+/-.)-2-Phenylbutyric acid, methyl ester
- Methyl 2-phenylbutanoate
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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° | -82.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.353 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Inp | [1287.10; 1287.30] |
|
|
| Inp | 1287.10 | NIST | |
| Inp | 1287.30 | NIST | |
| Tboil | 553.61 | K | Joback Calculated Property |
| Tc | 767.42 | K | Joback Calculated Property |
| Tfus | 297.31 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.73; 423.32] | J/mol×K | [553.61; 767.42] |
|
| Cp,gas | 346.73 | J/mol×K | 553.61 | Joback Calculated Property |
| Cp,gas | 361.56 | J/mol×K | 589.25 | Joback Calculated Property |
| Cp,gas | 375.53 | J/mol×K | 624.88 | Joback Calculated Property |
| Cp,gas | 388.67 | J/mol×K | 660.52 | Joback Calculated Property |
| Cp,gas | 401.00 | J/mol×K | 696.15 | Joback Calculated Property |
| Cp,gas | 412.55 | J/mol×K | 731.79 | Joback Calculated Property |
| Cp,gas | 423.32 | J/mol×K | 767.42 | Joback Calculated Property |
| η | [0.0001883; 0.0030377] | Pa×s | [297.31; 553.61] |
|
| η | 0.0030377 | Pa×s | 297.31 | Joback Calculated Property |
| η | 0.0014284 | Pa×s | 340.03 | Joback Calculated Property |
| η | 0.0007949 | Pa×s | 382.74 | Joback Calculated Property |
| η | 0.0004976 | Pa×s | 425.46 | Joback Calculated Property |
| η | 0.0003393 | Pa×s | 468.18 | Joback Calculated Property |
| η | 0.0002466 | Pa×s | 510.89 | Joback Calculated Property |
| η | 0.0001883 | Pa×s | 553.61 | Joback Calculated Property |
Similar Compounds
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Sources
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