- InChI
- InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-29-27(28)24-20-23-26-21-17-16-18-22-26/h16-18,21-22H,2-15,19-20,23-25H2,1H3
- InChI Key
- GYUAEINUTRRRMB-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCc1cc
ccc1 - 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 | 1.1504 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.424 | Crippen Calculated Property | |
| McVol | 374.970 | ml/mol | McGowan Calculated Property |
| Pc | 828.59 | kPa | Joback Calculated Property |
| Inp | 3023.00 | NIST | |
| Tboil | 673.96 | K | Relay (1.0) Calculated Property |
| Tc | 871.03 | K | Relay (1.0) Calculated Property |
| Tfus | 300.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1246.80; 1349.32] | J/mol×K | [902.26; 1104.67] | 
|
| Cp,gas | 1246.80 | J/mol×K | 902.26 | Joback Calculated Property |
| Cp,gas | 1267.08 | J/mol×K | 935.99 | Joback Calculated Property |
| Cp,gas | 1286.00 | J/mol×K | 969.73 | Joback Calculated Property |
| Cp,gas | 1303.62 | J/mol×K | 1003.46 | Joback Calculated Property |
| Cp,gas | 1320.00 | J/mol×K | 1037.20 | Joback Calculated Property |
| Cp,gas | 1335.21 | J/mol×K | 1070.93 | Joback Calculated Property |
| Cp,gas | 1349.32 | J/mol×K | 1104.67 | Joback Calculated Property |
| η | [0.0000240; 0.0007545] | Pa×s | [462.80; 902.26] |
|
| η | 0.0007545 | Pa×s | 462.80 | Joback Calculated Property |
| η | 0.0002868 | Pa×s | 536.04 | Joback Calculated Property |
| η | 0.0001376 | Pa×s | 609.29 | Joback Calculated Property |
| η | 0.0000773 | Pa×s | 682.53 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 755.77 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 829.02 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 902.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, heptadecyl ester.
Sources
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