- InChI
- InChI=1S/C18H28O2/c1-2-3-4-5-11-16-20-18(19)15-10-9-14-17-12-7-6-8-13-17/h6-8,12-13H,2-5,9-11,14-16H2,1H3
- InChI Key
- OSNYCQLSEGDSMO-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
- CCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 276.42
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8284 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.913 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1467.98 | kPa | Joback Calculated Property |
| Inp | [2092.00; 2092.00] |
|
|
| Inp | 2092.00 | NIST | |
| Inp | 2092.00 | NIST | |
| Tboil | 613.12 | K | Relay (1.0) Calculated Property |
| Tc | 802.69 | K | Relay (1.0) Calculated Property |
| Tfus | 257.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.68; 797.06] | J/mol×K | [696.34; 886.12] |
|
| Cp,gas | 703.68 | J/mol×K | 696.34 | Joback Calculated Property |
| Cp,gas | 721.73 | J/mol×K | 727.97 | Joback Calculated Property |
| Cp,gas | 738.73 | J/mol×K | 759.60 | Joback Calculated Property |
| Cp,gas | 754.74 | J/mol×K | 791.23 | Joback Calculated Property |
| Cp,gas | 769.77 | J/mol×K | 822.86 | Joback Calculated Property |
| Cp,gas | 783.87 | J/mol×K | 854.49 | Joback Calculated Property |
| Cp,gas | 797.06 | J/mol×K | 886.12 | Joback Calculated Property |
| η | [0.0000856; 0.0021702] | Pa×s | [361.37; 696.34] |
|
| η | 0.0021702 | Pa×s | 361.37 | Joback Calculated Property |
| η | 0.0008830 | Pa×s | 417.20 | Joback Calculated Property |
| η | 0.0004442 | Pa×s | 473.03 | Joback Calculated Property |
| η | 0.0002584 | Pa×s | 528.86 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 584.68 | Joback Calculated Property |
| η | 0.0001160 | Pa×s | 640.51 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 696.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, heptyl ester.
Sources
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