- InChI
- InChI=1S/C30H58O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-33-29(31)24-20-19-21-25-30(32)34-27-28(3)23-5-2/h28H,4-27H2,1-3H3
- InChI Key
- AFNUKJPCRWRBOV-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCCCC(
=O)OCC(C)CCC - Molecular Weight1
- 482.78
- 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° | -268.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1157.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.30 | kJ/mol | Joback Calculated Property |
| log10WS | -9.86 | Crippen Calculated Property | |
| logPoct/wat | 9.331 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 625.63 | kPa | Joback Calculated Property |
| Inp | [3305.00; 3305.00] |
|
|
| Inp | 3305.00 | NIST | |
| Inp | 3305.00 | NIST | |
| Tboil | 1037.94 | K | Joback Calculated Property |
| Tc | 1301.70 | K | Joback Calculated Property |
| Tfus | 557.18 | K | Joback Calculated Property |
| Vc | 1.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1605.40; 1713.90] | J/mol×K | [1037.94; 1301.70] |
|
| Cp,gas | 1605.40 | J/mol×K | 1037.94 | Joback Calculated Property |
| Cp,gas | 1629.35 | J/mol×K | 1081.90 | Joback Calculated Property |
| Cp,gas | 1650.81 | J/mol×K | 1125.86 | Joback Calculated Property |
| Cp,gas | 1669.88 | J/mol×K | 1169.82 | Joback Calculated Property |
| Cp,gas | 1686.68 | J/mol×K | 1213.78 | Joback Calculated Property |
| Cp,gas | 1701.32 | J/mol×K | 1257.74 | Joback Calculated Property |
| Cp,gas | 1713.90 | J/mol×K | 1301.70 | Joback Calculated Property |
| η | [0.0000104; 0.0002682] | Pa×s | [557.18; 1037.94] |
|
| η | 0.0002682 | Pa×s | 557.18 | Joback Calculated Property |
| η | 0.0001110 | Pa×s | 637.31 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 717.43 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 797.56 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 877.69 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 957.81 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 1037.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, heptadecyl 2-methylpentyl ester.
Sources
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