- InChI
- InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-13-19-23-21(22)18-14-17-20-15-11-10-12-16-20/h9-13,15-16H,2-8,14,17-19H2,1H3/b13-9+
- InChI Key
- MTRLQWICLCBEJH-UKTHLTGXSA-N
- Formula
- C21H32O2
- SMILES
- CCCCCCCCC=CCOC(=O)CCCc1ccccc1
- Molecular Weight1
- 316.48
- 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 | 0.8485 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.859 | Crippen Calculated Property | |
| McVol | 286.130 | ml/mol | McGowan Calculated Property |
| Pc | 1234.61 | kPa | Joback Calculated Property |
| Inp | [2396.00; 2396.00] |
|
|
| Inp | 2396.00 | NIST | |
| Inp | 2396.00 | NIST | |
| Tboil | 631.65 | K | Relay (1.0) Calculated Property |
| Tc | 830.19 | K | Relay (1.0) Calculated Property |
| Tfus | 267.63 | 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 | [853.04; 947.08] | J/mol×K | [769.14; 961.95] |
|
| Cp,gas | 853.04 | J/mol×K | 769.14 | Joback Calculated Property |
| Cp,gas | 871.26 | J/mol×K | 801.27 | Joback Calculated Property |
| Cp,gas | 888.40 | J/mol×K | 833.41 | Joback Calculated Property |
| Cp,gas | 904.50 | J/mol×K | 865.54 | Joback Calculated Property |
| Cp,gas | 919.61 | J/mol×K | 897.68 | Joback Calculated Property |
| Cp,gas | 933.79 | J/mol×K | 929.81 | Joback Calculated Property |
| Cp,gas | 947.08 | J/mol×K | 961.95 | Joback Calculated Property |
| η | [0.0000498; 0.0014851] | Pa×s | [390.10; 769.14] |
|
| η | 0.0014851 | Pa×s | 390.10 | Joback Calculated Property |
| η | 0.0005686 | Pa×s | 453.27 | Joback Calculated Property |
| η | 0.0002753 | Pa×s | 516.45 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 579.62 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 642.79 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 705.97 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 769.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, undec-2-en-1-yl ester.
Sources
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