- InChI
- InChI=1S/C21H32O2/c1-3-5-6-7-8-9-10-11-15-18-23-21(22)20(4-2)19-16-13-12-14-17-19/h11-17,20H,3-10,18H2,1-2H3/b15-11+
- InChI Key
- SREKKSONWDEZGI-RVDMUPIBSA-N
- Formula
- C21H32O2
- SMILES
-
CCCCCCCCC=CCOC(=O)C(CC)c1ccccc
1 - 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° | 82.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -373.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.40 | Crippen Calculated Property | |
| logPoct/wat | 6.030 | Crippen Calculated Property | |
| McVol | 286.130 | ml/mol | McGowan Calculated Property |
| Pc | 1278.25 | kPa | Joback Calculated Property |
| Inp | [2246.00; 2246.00] |
|
|
| Inp | 2246.00 | NIST | |
| Inp | 2246.00 | NIST | |
| Tboil | 786.57 | K | Joback Calculated Property |
| Tc | 983.94 | K | Joback Calculated Property |
| Tfus | 404.93 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.07; 955.46] | J/mol×K | [786.57; 983.94] |
|
| Cp,gas | 861.07 | J/mol×K | 786.57 | Joback Calculated Property |
| Cp,gas | 879.32 | J/mol×K | 819.46 | Joback Calculated Property |
| Cp,gas | 896.50 | J/mol×K | 852.36 | Joback Calculated Property |
| Cp,gas | 912.65 | J/mol×K | 885.25 | Joback Calculated Property |
| Cp,gas | 927.82 | J/mol×K | 918.15 | Joback Calculated Property |
| Cp,gas | 942.07 | J/mol×K | 951.04 | Joback Calculated Property |
| Cp,gas | 955.46 | J/mol×K | 983.94 | Joback Calculated Property |
| η | [0.0000518; 0.0013227] | Pa×s | [404.93; 786.57] |
|
| η | 0.0013227 | Pa×s | 404.93 | Joback Calculated Property |
| η | 0.0005343 | Pa×s | 468.54 | Joback Calculated Property |
| η | 0.0002681 | Pa×s | 532.14 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 595.75 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 659.36 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 722.96 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 786.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, undec-2-en-1-yl ester.
Sources
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