- InChI
- InChI=1S/C21H34O2/c1-3-5-6-7-8-9-10-11-15-18-23-21(22)20(4-2)19-16-13-12-14-17-19/h12-14,16-17,20H,3-11,15,18H2,1-2H3
- InChI Key
- CXFZNNNHJTVGDT-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
- CCCCCCCCCCCOC(=O)C(CC)c1ccccc1
- Molecular Weight1
- 318.49
- 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° | 1.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.38 | kJ/mol | Joback Calculated Property |
| log10WS | -6.54 | Crippen Calculated Property | |
| logPoct/wat | 6.254 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1232.01 | kPa | Joback Calculated Property |
| Inp | [2246.00; 2246.00] |
|
|
| Inp | 2246.00 | NIST | |
| Inp | 2246.00 | NIST | |
| Tboil | 782.41 | K | Joback Calculated Property |
| Tc | 975.05 | K | Joback Calculated Property |
| Tfus | 410.01 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.81; 982.33] | J/mol×K | [782.41; 975.05] |
|
| Cp,gas | 885.81 | J/mol×K | 782.41 | Joback Calculated Property |
| Cp,gas | 904.52 | J/mol×K | 814.52 | Joback Calculated Property |
| Cp,gas | 922.13 | J/mol×K | 846.62 | Joback Calculated Property |
| Cp,gas | 938.68 | J/mol×K | 878.73 | Joback Calculated Property |
| Cp,gas | 954.20 | J/mol×K | 910.84 | Joback Calculated Property |
| Cp,gas | 968.74 | J/mol×K | 942.94 | Joback Calculated Property |
| Cp,gas | 982.33 | J/mol×K | 975.05 | Joback Calculated Property |
| η | [0.0000597; 0.0014151] | Pa×s | [410.01; 782.41] |
|
| η | 0.0014151 | Pa×s | 410.01 | Joback Calculated Property |
| η | 0.0005902 | Pa×s | 472.08 | Joback Calculated Property |
| η | 0.0003016 | Pa×s | 534.14 | Joback Calculated Property |
| η | 0.0001773 | Pa×s | 596.21 | Joback Calculated Property |
| η | 0.0001152 | Pa×s | 658.28 | Joback Calculated Property |
| η | 0.0000806 | Pa×s | 720.34 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 782.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, undecyl ester.
Sources
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