- InChI
- InChI=1S/C23H36O5/c1-6-9-10-11-14-17-26-21(24)23(7-2,8-3)22(25)28-20-16-13-12-15-19(20)27-18(4)5/h12-13,15-16,18H,6-11,14,17H2,1-5H3
- InChI Key
- FFZHYGBCLIOAIX-UHFFFAOYSA-N
- Formula
- C23H36O5
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
ccccc1OC(C)C - Molecular Weight1
- 392.53
- 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 | 0.9749 | Relay (1.0) Calculated Property | |
| ΔfG° | -326.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.699 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Pc | 1105.21 | kPa | Joback Calculated Property |
| Inp | 2430.00 | NIST | |
| Tboil | 632.66 | K | Relay (1.0) Calculated Property |
| Tc | 851.61 | K | Relay (1.0) Calculated Property |
| Tfus | 312.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.216 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1088.52; 1165.87] | J/mol×K | [928.63; 1140.38] | 
|
| Cp,gas | 1088.52 | J/mol×K | 928.63 | Joback Calculated Property |
| Cp,gas | 1104.74 | J/mol×K | 963.92 | Joback Calculated Property |
| Cp,gas | 1119.58 | J/mol×K | 999.21 | Joback Calculated Property |
| Cp,gas | 1133.07 | J/mol×K | 1034.51 | Joback Calculated Property |
| Cp,gas | 1145.26 | J/mol×K | 1069.80 | Joback Calculated Property |
| Cp,gas | 1156.18 | J/mol×K | 1105.09 | Joback Calculated Property |
| Cp,gas | 1165.87 | J/mol×K | 1140.38 | Joback Calculated Property |
| η | [0.0000186; 0.0002947] | Pa×s | [541.88; 928.63] |
|
| η | 0.0002947 | Pa×s | 541.88 | Joback Calculated Property |
| η | 0.0001456 | Pa×s | 606.34 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 670.80 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 735.25 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 799.71 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 864.17 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 928.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl 2-isopropoxyphenyl ester.
Sources
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