- InChI
- InChI=1S/C19H36O4/c1-4-6-7-11-15-22-18(20)13-9-8-10-14-19(21)23-16-17(3)12-5-2/h17H,4-16H2,1-3H3
- InChI Key
- RRFFSHQPOLWBQT-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCCOC(=O)CCCCCC(=O)OCC(C)CC
C - Molecular Weight1
- 328.49
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9701 | Relay (1.0) Calculated Property | |
| ΔfG° | -361.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1063.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.040 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1155.35 | kPa | Joback Calculated Property |
| Inp | [2210.00; 2210.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Tboil | 603.91 | K | Relay (1.0) Calculated Property |
| Tc | 770.55 | K | Relay (1.0) Calculated Property |
| Tfus | 233.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.117 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.39; 1002.36] | J/mol×K | [786.26; 968.16] |
|
| Cp,gas | 909.39 | J/mol×K | 786.26 | Joback Calculated Property |
| Cp,gas | 927.32 | J/mol×K | 816.58 | Joback Calculated Property |
| Cp,gas | 944.26 | J/mol×K | 846.89 | Joback Calculated Property |
| Cp,gas | 960.22 | J/mol×K | 877.21 | Joback Calculated Property |
| Cp,gas | 975.21 | J/mol×K | 907.53 | Joback Calculated Property |
| Cp,gas | 989.26 | J/mol×K | 937.85 | Joback Calculated Property |
| Cp,gas | 1002.36 | J/mol×K | 968.16 | Joback Calculated Property |
| η | [0.0000565; 0.0011109] | Pa×s | [433.21; 786.26] |
|
| η | 0.0011109 | Pa×s | 433.21 | Joback Calculated Property |
| η | 0.0005025 | Pa×s | 492.05 | Joback Calculated Property |
| η | 0.0002693 | Pa×s | 550.89 | Joback Calculated Property |
| η | 0.0001628 | Pa×s | 609.74 | Joback Calculated Property |
| η | 0.0001075 | Pa×s | 668.58 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 727.42 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 786.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl 2-methylpentyl ester.
Sources
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