- 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
- 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° | 84.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.73 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 5.859 | Crippen Calculated Property | |
| McVol | 286.130 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | [2396.00; 2396.00] |
|
|
| Inp | 2396.00 | NIST | |
| Inp | 2396.00 | NIST | |
| Tboil | 787.01 | K | Joback Calculated Property |
| Tc | 982.19 | K | Joback Calculated Property |
| Tfus | 419.93 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.57; 954.19] | J/mol×K | [787.01; 982.19] |
|
| Cp,gas | 860.57 | J/mol×K | 787.01 | Joback Calculated Property |
| Cp,gas | 878.62 | J/mol×K | 819.54 | Joback Calculated Property |
| Cp,gas | 895.62 | J/mol×K | 852.07 | Joback Calculated Property |
| Cp,gas | 911.63 | J/mol×K | 884.60 | Joback Calculated Property |
| Cp,gas | 926.69 | J/mol×K | 917.13 | Joback Calculated Property |
| Cp,gas | 940.86 | J/mol×K | 949.66 | Joback Calculated Property |
| Cp,gas | 954.19 | J/mol×K | 982.19 | Joback Calculated Property |
| η | [0.0000564; 0.0010888] | Pa×s | [419.93; 787.01] |
|
| η | 0.0010888 | Pa×s | 419.93 | Joback Calculated Property |
| η | 0.0004857 | Pa×s | 481.11 | Joback Calculated Property |
| η | 0.0002600 | Pa×s | 542.29 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 603.47 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 664.65 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 725.83 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 787.01 | 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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