- InChI
- InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29-27(28)26(4-2)25-22-19-18-20-23-25/h18-20,22-23,26H,3-17,21,24H2,1-2H3
- InChI Key
- NPIDHRRXJVVTOS-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)c1
ccccc1 - Molecular Weight1
- 402.65
- 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 | 1.0945 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.595 | Crippen Calculated Property | |
| McVol | 374.970 | ml/mol | McGowan Calculated Property |
| Pc | 852.47 | kPa | Joback Calculated Property |
| Inp | [2869.00; 2869.00] |
|
|
| Inp | 2869.00 | NIST | |
| Inp | 2869.00 | NIST | |
| Tboil | 655.03 | K | Relay (1.0) Calculated Property |
| Tc | 872.72 | K | Relay (1.0) Calculated Property |
| Tfus | 318.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.405 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1256.54; 1359.25] | J/mol×K | [919.69; 1126.02] |
|
| Cp,gas | 1256.54 | J/mol×K | 919.69 | Joback Calculated Property |
| Cp,gas | 1276.83 | J/mol×K | 954.08 | Joback Calculated Property |
| Cp,gas | 1295.76 | J/mol×K | 988.47 | Joback Calculated Property |
| Cp,gas | 1313.40 | J/mol×K | 1022.85 | Joback Calculated Property |
| Cp,gas | 1329.82 | J/mol×K | 1057.24 | Joback Calculated Property |
| Cp,gas | 1345.08 | J/mol×K | 1091.63 | Joback Calculated Property |
| Cp,gas | 1359.25 | J/mol×K | 1126.02 | Joback Calculated Property |
| η | [0.0000251; 0.0006899] | Pa×s | [477.63; 919.69] |
|
| η | 0.0006899 | Pa×s | 477.63 | Joback Calculated Property |
| η | 0.0002746 | Pa×s | 551.31 | Joback Calculated Property |
| η | 0.0001358 | Pa×s | 624.98 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 698.66 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 772.34 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 846.01 | Joback Calculated Property |
| η | 0.0000251 | Pa×s | 919.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, heptadecyl ester.
Sources
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