- InChI
- InChI=1S/C29H56O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-28(30)23-20-19-21-24-29(31)33-27(4)26(3)6-2/h26-27H,5-25H2,1-4H3
- InChI Key
- UEUPVRPMHVMQTJ-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(=
O)OC(C)C(C)CC - Molecular Weight1
- 468.75
- 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° | -279.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1142.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.68 | kJ/mol | Joback Calculated Property |
| log10WS | -9.56 | Crippen Calculated Property | |
| logPoct/wat | 8.939 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 659.49 | kPa | Joback Calculated Property |
| Inp | [3165.00; 3165.00] |
|
|
| Inp | 3165.00 | NIST | |
| Inp | 3165.00 | NIST | |
| Tboil | 1014.62 | K | Joback Calculated Property |
| Tc | 1261.98 | K | Joback Calculated Property |
| Tfus | 530.91 | K | Joback Calculated Property |
| Vc | 1.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1540.24; 1646.05] | J/mol×K | [1014.62; 1261.98] |
|
| Cp,gas | 1540.24 | J/mol×K | 1014.62 | Joback Calculated Property |
| Cp,gas | 1563.12 | J/mol×K | 1055.85 | Joback Calculated Property |
| Cp,gas | 1583.78 | J/mol×K | 1097.07 | Joback Calculated Property |
| Cp,gas | 1602.32 | J/mol×K | 1138.30 | Joback Calculated Property |
| Cp,gas | 1618.82 | J/mol×K | 1179.53 | Joback Calculated Property |
| Cp,gas | 1633.37 | J/mol×K | 1220.75 | Joback Calculated Property |
| Cp,gas | 1646.05 | J/mol×K | 1261.98 | Joback Calculated Property |
| η | [0.0000111; 0.0003537] | Pa×s | [530.91; 1014.62] |
|
| η | 0.0003537 | Pa×s | 530.91 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 611.53 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 692.15 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 772.76 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 853.38 | Joback Calculated Property |
| η | 0.0000154 | Pa×s | 934.00 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 1014.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexadecyl 3-methyl-2-pentyl ester.
Sources
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