- InChI
- InChI=1S/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
- InChI Key
- YMPDQHXHLKFWNN-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCCCCCC(=O)OCCc1ccccc1
- Molecular Weight1
- 234.33
- CAS
- 5454-11-5
- Other Names
-
- Phenylethyl heptanoate
- Phenylethyl heptylate
- Phenylethyl n-heptanoate
- 2-phenylethyl heptanoate
- 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.
- I : 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° | -46.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.07 | Crippen Calculated Property | |
| logPoct/wat | 3.743 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1921.98 | kPa | Joback Calculated Property |
| Inp | [1707.00; 1740.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1718.00 | NIST | |
| I | 2233.00 | NIST | |
| Tboil | 645.57 | K | Joback Calculated Property |
| Tc | 843.08 | K | Joback Calculated Property |
| Tfus | 357.39 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.39; 633.62] | J/mol×K | [645.57; 843.08] |
|
| Cp,gas | 546.39 | J/mol×K | 645.57 | Joback Calculated Property |
| Cp,gas | 563.17 | J/mol×K | 678.49 | Joback Calculated Property |
| Cp,gas | 579.02 | J/mol×K | 711.41 | Joback Calculated Property |
| Cp,gas | 593.96 | J/mol×K | 744.32 | Joback Calculated Property |
| Cp,gas | 608.02 | J/mol×K | 777.24 | Joback Calculated Property |
| Cp,gas | 621.23 | J/mol×K | 810.16 | Joback Calculated Property |
| Cp,gas | 633.62 | J/mol×K | 843.08 | Joback Calculated Property |
| η | [0.0001364; 0.0019370] | Pa×s | [357.39; 645.57] |
|
| η | 0.0019370 | Pa×s | 357.39 | Joback Calculated Property |
| η | 0.0009578 | Pa×s | 405.42 | Joback Calculated Property |
| η | 0.0005498 | Pa×s | 453.45 | Joback Calculated Property |
| η | 0.0003510 | Pa×s | 501.48 | Joback Calculated Property |
| η | 0.0002424 | Pa×s | 549.51 | Joback Calculated Property |
| η | 0.0001776 | Pa×s | 597.54 | Joback Calculated Property |
| η | 0.0001364 | Pa×s | 645.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2-phenylethyl ester.
Sources
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