- InChI
- InChI=1S/C20H32O2/c1-2-3-4-5-6-7-13-18-22-20(21)17-12-11-16-19-14-9-8-10-15-19/h8-10,14-15H,2-7,11-13,16-18H2,1H3
- InChI Key
- LDJNXWXWSPXLJO-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
- CCCCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 304.47
- 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 | 0.9038 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.693 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1273.69 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2298.00] |
|
|
| Inp | 2298.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Tboil | 628.48 | K | Relay (1.0) Calculated Property |
| Tc | 820.19 | K | Relay (1.0) Calculated Property |
| Tfus | 268.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.050 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.44; 913.96] | J/mol×K | [742.10; 930.29] |
|
| Cp,gas | 818.44 | J/mol×K | 742.10 | Joback Calculated Property |
| Cp,gas | 836.94 | J/mol×K | 773.47 | Joback Calculated Property |
| Cp,gas | 854.35 | J/mol×K | 804.83 | Joback Calculated Property |
| Cp,gas | 870.73 | J/mol×K | 836.20 | Joback Calculated Property |
| Cp,gas | 886.10 | J/mol×K | 867.56 | Joback Calculated Property |
| Cp,gas | 900.50 | J/mol×K | 898.93 | Joback Calculated Property |
| Cp,gas | 913.96 | J/mol×K | 930.29 | Joback Calculated Property |
| η | [0.0000658; 0.0017673] | Pa×s | [383.91; 742.10] |
|
| η | 0.0017673 | Pa×s | 383.91 | Joback Calculated Property |
| η | 0.0007062 | Pa×s | 443.61 | Joback Calculated Property |
| η | 0.0003508 | Pa×s | 503.31 | Joback Calculated Property |
| η | 0.0002021 | Pa×s | 563.00 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 622.70 | Joback Calculated Property |
| η | 0.0000896 | Pa×s | 682.40 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 742.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, nonyl ester.
Sources
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