- InChI
- InChI=1S/C30H58O4/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-34-29(32)30(7-3,8-4)28(31)33-26-24-10-6-2/h5-27H2,1-4H3
- InChI Key
- XQKTXMXZYZEUTP-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)OCCCCC - Molecular Weight1
- 482.78
- 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 | 1.2856 | Relay (1.0) Calculated Property | |
| ΔfG° | -263.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1244.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.331 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 629.08 | kPa | Joback Calculated Property |
| Inp | [3091.00; 3091.00] |
|
|
| Inp | 3091.00 | NIST | |
| Inp | 3091.00 | NIST | |
| Tboil | 662.19 | K | Relay (1.0) Calculated Property |
| Tc | 854.40 | K | Relay (1.0) Calculated Property |
| Tfus | 301.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.700 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1604.78; 1718.15] | J/mol×K | [1035.15; 1291.99] |
|
| Cp,gas | 1604.78 | J/mol×K | 1035.15 | Joback Calculated Property |
| Cp,gas | 1628.56 | J/mol×K | 1077.96 | Joback Calculated Property |
| Cp,gas | 1650.20 | J/mol×K | 1120.76 | Joback Calculated Property |
| Cp,gas | 1669.84 | J/mol×K | 1163.57 | Joback Calculated Property |
| Cp,gas | 1687.63 | J/mol×K | 1206.38 | Joback Calculated Property |
| Cp,gas | 1703.68 | J/mol×K | 1249.18 | Joback Calculated Property |
| Cp,gas | 1718.15 | J/mol×K | 1291.99 | Joback Calculated Property |
| η | [0.0000086; 0.0002068] | Pa×s | [574.60; 1035.15] |
|
| η | 0.0002068 | Pa×s | 574.60 | Joback Calculated Property |
| η | 0.0000890 | Pa×s | 651.36 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 728.12 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 804.88 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 881.63 | Joback Calculated Property |
| η | 0.0000118 | Pa×s | 958.39 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 1035.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octadecyl pentyl ester.
Sources
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