- InChI
- InChI=1S/C23H44O4/c1-4-5-6-7-8-9-10-11-15-19-26-22(24)16-13-12-14-17-23(25)27-20-18-21(2)3/h21H,4-20H2,1-3H3
- InChI Key
- YXCYGKXCKWSWFH-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCC(=O)OCC
C(C)C - Molecular Weight1
- 384.60
- 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).
- 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 | 1.1171 | Relay (1.0) Calculated Property | |
| ΔfG° | -480.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1138.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.600 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 861.00 | kPa | Joback Calculated Property |
| Tboil | 632.01 | K | Relay (1.0) Calculated Property |
| Tc | 803.81 | K | Relay (1.0) Calculated Property |
| Tfus | 272.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.355 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1136.63; 1235.80] | J/mol×K | [841.84; 1030.70] | 
|
| Cp,gas | 1136.63 | J/mol×K | 841.84 | Joback Calculated Property |
| Cp,gas | 1156.31 | J/mol×K | 873.32 | Joback Calculated Property |
| Cp,gas | 1174.69 | J/mol×K | 904.79 | Joback Calculated Property |
| Cp,gas | 1191.80 | J/mol×K | 936.27 | Joback Calculated Property |
| Cp,gas | 1207.67 | J/mol×K | 967.75 | Joback Calculated Property |
| Cp,gas | 1222.33 | J/mol×K | 999.22 | Joback Calculated Property |
| Cp,gas | 1235.80 | J/mol×K | 1030.70 | Joback Calculated Property |
| η | [0.0000244; 0.0012713] | Pa×s | [418.63; 841.84] |
|
| η | 0.0012713 | Pa×s | 418.63 | Joback Calculated Property |
| η | 0.0004089 | Pa×s | 489.16 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 559.70 | Joback Calculated Property |
| η | 0.0000906 | Pa×s | 630.23 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 700.77 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 771.30 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 841.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, undecyl 3-methylbutyl ester.
Sources
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