- InChI
- InChI=1S/C29H56O6/c1-5-7-9-12-18-26(20-16-24-32-3)34-28(30)22-14-11-15-23-29(31)35-27(21-17-25-33-4)19-13-10-8-6-2/h26-27H,5-25H2,1-4H3
- InChI Key
- FXYOJTZTLLXIKE-UHFFFAOYSA-N
- Formula
- C29H56O6
- SMILES
-
CCCCCCC(CCCOC)OC(=O)CCCCCC(=O)
OC(CCCCCC)CCCOC - Molecular Weight1
- 500.75
- 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 | 1.3276 | Relay (1.0) Calculated Property | |
| ΔfG° | -489.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1506.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.554 | Crippen Calculated Property | |
| McVol | 446.090 | ml/mol | McGowan Calculated Property |
| Pc | 648.12 | kPa | Joback Calculated Property |
| Inp | [3127.00; 3127.00] |
|
|
| Inp | 3127.00 | NIST | |
| Inp | 3127.00 | NIST | |
| Tboil | 686.40 | K | Relay (1.0) Calculated Property |
| Tc | 852.79 | K | Relay (1.0) Calculated Property |
| Tfus | 270.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.681 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1600.95; 1681.07] | J/mol×K | [1059.46; 1332.23] |
|
| Cp,gas | 1600.95 | J/mol×K | 1059.46 | Joback Calculated Property |
| Cp,gas | 1622.00 | J/mol×K | 1104.92 | Joback Calculated Property |
| Cp,gas | 1639.89 | J/mol×K | 1150.38 | Joback Calculated Property |
| Cp,gas | 1654.70 | J/mol×K | 1195.84 | Joback Calculated Property |
| Cp,gas | 1666.46 | J/mol×K | 1241.30 | Joback Calculated Property |
| Cp,gas | 1675.23 | J/mol×K | 1286.76 | Joback Calculated Property |
| Cp,gas | 1681.07 | J/mol×K | 1332.23 | Joback Calculated Property |
| η | [0.0000059; 0.0001523] | Pa×s | [575.37; 1059.46] |
|
| η | 0.0001523 | Pa×s | 575.37 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 656.05 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 736.73 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 817.41 | Joback Calculated Property |
| η | 0.0000118 | Pa×s | 898.10 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 978.78 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 1059.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(methoxydec-4-yl) ester.
Sources
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