- InChI
- InChI=1S/C23H30O4/c1-17(2)15-18(3)26-22(24)11-5-4-6-12-23(25)27-21-14-13-19-9-7-8-10-20(19)16-21/h7-10,13-14,16-18H,4-6,11-12,15H2,1-3H3
- InChI Key
- DBAQFDHUHRAIBF-UHFFFAOYSA-N
- Formula
- C23H30O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCCC(=O)Oc1c
cc2ccccc2c1 - Molecular Weight1
- 370.48
- 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° | -120.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.91 | kJ/mol | Joback Calculated Property |
| log10WS | -6.93 | Crippen Calculated Property | |
| logPoct/wat | 5.674 | Crippen Calculated Property | |
| McVol | 306.590 | ml/mol | McGowan Calculated Property |
| Pc | 1315.61 | kPa | Joback Calculated Property |
| Inp | [2842.00; 2842.00] |
|
|
| Inp | 2842.00 | NIST | |
| Inp | 2842.00 | NIST | |
| Tboil | 927.98 | K | Joback Calculated Property |
| Tc | 1146.03 | K | Joback Calculated Property |
| Tfus | 534.93 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.58; 1055.56] | J/mol×K | [927.98; 1146.03] |
|
| Cp,gas | 980.58 | J/mol×K | 927.98 | Joback Calculated Property |
| Cp,gas | 995.85 | J/mol×K | 964.32 | Joback Calculated Property |
| Cp,gas | 1009.93 | J/mol×K | 1000.66 | Joback Calculated Property |
| Cp,gas | 1022.88 | J/mol×K | 1037.01 | Joback Calculated Property |
| Cp,gas | 1034.76 | J/mol×K | 1073.35 | Joback Calculated Property |
| Cp,gas | 1045.63 | J/mol×K | 1109.69 | Joback Calculated Property |
| Cp,gas | 1055.56 | J/mol×K | 1146.03 | Joback Calculated Property |
| η | [0.0000606; 0.0006384] | Pa×s | [534.93; 927.98] |
|
| η | 0.0006384 | Pa×s | 534.93 | Joback Calculated Property |
| η | 0.0003481 | Pa×s | 600.44 | Joback Calculated Property |
| η | 0.0002139 | Pa×s | 665.95 | Joback Calculated Property |
| η | 0.0001434 | Pa×s | 731.46 | Joback Calculated Property |
| η | 0.0001027 | Pa×s | 796.96 | Joback Calculated Property |
| η | 0.0000773 | Pa×s | 862.47 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 927.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 2-naphthyl ester.
Sources
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