- InChI
- InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-17-22-30-25(28)27(2,3)26(29)31-23-18-21-24-19-15-14-16-20-24/h14-16,19-20H,4-13,17-18,21-23H2,1-3H3
- InChI Key
- QYCUHUBRYOEMAF-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O
)OCCCc1ccccc1 - Molecular Weight1
- 432.64
- 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 | 1.1263 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -967.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.043 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 840.16 | kPa | Joback Calculated Property |
| Inp | 2927.00 | NIST | |
| Tboil | 670.56 | K | Relay (1.0) Calculated Property |
| Tc | 879.25 | K | Relay (1.0) Calculated Property |
| Tfus | 287.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1290.34; 1376.37] | J/mol×K | [957.25; 1171.95] | 
|
| Cp,gas | 1290.34 | J/mol×K | 957.25 | Joback Calculated Property |
| Cp,gas | 1308.15 | J/mol×K | 993.03 | Joback Calculated Property |
| Cp,gas | 1324.47 | J/mol×K | 1028.82 | Joback Calculated Property |
| Cp,gas | 1339.37 | J/mol×K | 1064.60 | Joback Calculated Property |
| Cp,gas | 1352.93 | J/mol×K | 1100.38 | Joback Calculated Property |
| Cp,gas | 1365.24 | J/mol×K | 1136.16 | Joback Calculated Property |
| Cp,gas | 1376.37 | J/mol×K | 1171.95 | Joback Calculated Property |
| η | [0.0000110; 0.0004093] | Pa×s | [507.55; 957.25] |
|
| η | 0.0004093 | Pa×s | 507.55 | Joback Calculated Property |
| η | 0.0001521 | Pa×s | 582.50 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 657.45 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 732.40 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 807.35 | Joback Calculated Property |
| η | 0.0000156 | Pa×s | 882.30 | Joback Calculated Property |
| η | 0.0000110 | Pa×s | 957.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 3-phenylpropyl tridecyl ester.
Sources
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