- InChI
- InChI=1S/C22H34O5/c1-6-7-8-9-10-13-16-25-20(23)22(4,5)21(24)27-19-15-12-11-14-18(19)26-17(2)3/h11-12,14-15,17H,6-10,13,16H2,1-5H3
- InChI Key
- CBKVLWADKPGLEQ-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c
cccc1OC(C)C - Molecular Weight1
- 378.50
- 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 | 0.9604 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1015.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.309 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Pc | 1179.28 | kPa | Joback Calculated Property |
| Inp | 2362.00 | NIST | |
| Tboil | 617.92 | K | Relay (1.0) Calculated Property |
| Tc | 839.98 | K | Relay (1.0) Calculated Property |
| Tfus | 297.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.196 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1027.89; 1105.24] | J/mol×K | [905.75; 1115.36] | 
|
| Cp,gas | 1027.89 | J/mol×K | 905.75 | Joback Calculated Property |
| Cp,gas | 1044.00 | J/mol×K | 940.68 | Joback Calculated Property |
| Cp,gas | 1058.77 | J/mol×K | 975.62 | Joback Calculated Property |
| Cp,gas | 1072.24 | J/mol×K | 1010.55 | Joback Calculated Property |
| Cp,gas | 1084.46 | J/mol×K | 1045.49 | Joback Calculated Property |
| Cp,gas | 1095.44 | J/mol×K | 1080.42 | Joback Calculated Property |
| Cp,gas | 1105.24 | J/mol×K | 1115.36 | Joback Calculated Property |
| η | [0.0000217; 0.0003343] | Pa×s | [530.61; 905.75] |
|
| η | 0.0003343 | Pa×s | 530.61 | Joback Calculated Property |
| η | 0.0001668 | Pa×s | 593.13 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 655.66 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 718.18 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 780.70 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 843.23 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 905.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-isopropoxyphenyl octyl ester.
Sources
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