- InChI
- InChI=1S/C25H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-27-25(26)24(4-2)23-20-17-16-18-21-23/h16-18,20-21,24H,3-15,19,22H2,1-2H3
- InChI Key
- ZBYDLQCOSGASBR-UHFFFAOYSA-N
- Formula
- C25H42O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)c1cc
ccc1 - Molecular Weight1
- 374.60
- 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 | 1.0242 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.815 | Crippen Calculated Property | |
| McVol | 346.790 | ml/mol | McGowan Calculated Property |
| Pc | 956.73 | kPa | Joback Calculated Property |
| Inp | [2667.00; 2667.00] |
|
|
| Inp | 2667.00 | NIST | |
| Inp | 2667.00 | NIST | |
| Tboil | 641.84 | K | Relay (1.0) Calculated Property |
| Tc | 859.44 | K | Relay (1.0) Calculated Property |
| Tfus | 313.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.295 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1130.30; 1230.57] | J/mol×K | [873.93; 1072.51] |
|
| Cp,gas | 1130.30 | J/mol×K | 873.93 | Joback Calculated Property |
| Cp,gas | 1149.94 | J/mol×K | 907.03 | Joback Calculated Property |
| Cp,gas | 1168.34 | J/mol×K | 940.12 | Joback Calculated Property |
| Cp,gas | 1185.55 | J/mol×K | 973.22 | Joback Calculated Property |
| Cp,gas | 1201.62 | J/mol×K | 1006.32 | Joback Calculated Property |
| Cp,gas | 1216.61 | J/mol×K | 1039.42 | Joback Calculated Property |
| Cp,gas | 1230.57 | J/mol×K | 1072.51 | Joback Calculated Property |
| η | [0.0000338; 0.0008889] | Pa×s | [455.09; 873.93] |
|
| η | 0.0008889 | Pa×s | 455.09 | Joback Calculated Property |
| η | 0.0003588 | Pa×s | 524.90 | Joback Calculated Property |
| η | 0.0001792 | Pa×s | 594.70 | Joback Calculated Property |
| η | 0.0001036 | Pa×s | 664.51 | Joback Calculated Property |
| η | 0.0000664 | Pa×s | 734.32 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 804.12 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 873.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, pentadecyl ester.
Sources
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