- InChI
- InChI=1S/C29H58O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-29(30)27-28(2)3/h28H,4-27H2,1-3H3
- InChI Key
- IDPXGDLRSHZFIZ-UHFFFAOYSA-N
- Formula
- C29H58O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)
CC(C)C - Molecular Weight1
- 438.77
- 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° | -43.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -891.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.92 | kJ/mol | Joback Calculated Property |
| log10WS | -10.58 | Crippen Calculated Property | |
| logPoct/wat | 10.178 | Crippen Calculated Property | |
| McVol | 426.910 | ml/mol | McGowan Calculated Property |
| Pc | 641.57 | kPa | Joback Calculated Property |
| Inp | [3043.90; 3043.90] |
|
|
| Inp | 3043.90 | NIST | |
| Inp | 3043.90 | NIST | |
| Tboil | 938.77 | K | Joback Calculated Property |
| Tc | 1159.48 | K | Joback Calculated Property |
| Tfus | 473.75 | K | Joback Calculated Property |
| Vc | 1.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1482.71; 1608.98] | J/mol×K | [938.77; 1159.48] |
|
| Cp,gas | 1482.71 | J/mol×K | 938.77 | Joback Calculated Property |
| Cp,gas | 1507.81 | J/mol×K | 975.55 | Joback Calculated Property |
| Cp,gas | 1531.17 | J/mol×K | 1012.34 | Joback Calculated Property |
| Cp,gas | 1552.90 | J/mol×K | 1049.12 | Joback Calculated Property |
| Cp,gas | 1573.05 | J/mol×K | 1085.91 | Joback Calculated Property |
| Cp,gas | 1591.72 | J/mol×K | 1122.69 | Joback Calculated Property |
| Cp,gas | 1608.98 | J/mol×K | 1159.48 | Joback Calculated Property |
| η | [0.0000179; 0.0006598] | Pa×s | [473.75; 938.77] |
|
| η | 0.0006598 | Pa×s | 473.75 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 551.25 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 628.76 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 706.26 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 783.76 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 861.27 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 938.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isovaleric acid, tetracosyl ester.
Sources
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