- InChI
- InChI=1S/C27H42O5/c1-5-6-7-8-9-10-11-20-31-25(28)27(2,3)26(29)32-24-18-14-22(15-19-24)21-12-16-23(30-4)17-13-21/h12-13,16-17,22,24H,5-11,14-15,18-20H2,1-4H3
- InChI Key
- ISIYULXCEQSXKG-UHFFFAOYSA-N
- Formula
- C27H42O5
- SMILES
-
CCCCCCCCCOC(=O)C(C)(C)C(=O)OC1
CCC(c2ccc(OC)cc2)CC1 - Molecular Weight1
- 446.62
- 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 | 1.0347 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1040.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.585 | Crippen Calculated Property | |
| McVol | 377.420 | ml/mol | McGowan Calculated Property |
| Pc | 959.69 | kPa | Joback Calculated Property |
| Inp | 3303.00 | NIST | |
| Tboil | 704.44 | K | Relay (1.0) Calculated Property |
| Tc | 930.08 | K | Relay (1.0) Calculated Property |
| Tfus | 324.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.392 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1333.57; 1399.54] | J/mol×K | [1035.47; 1268.10] | 
|
| Cp,gas | 1333.57 | J/mol×K | 1035.47 | Joback Calculated Property |
| Cp,gas | 1349.25 | J/mol×K | 1074.24 | Joback Calculated Property |
| Cp,gas | 1362.97 | J/mol×K | 1113.01 | Joback Calculated Property |
| Cp,gas | 1374.79 | J/mol×K | 1151.79 | Joback Calculated Property |
| Cp,gas | 1384.79 | J/mol×K | 1190.56 | Joback Calculated Property |
| Cp,gas | 1393.01 | J/mol×K | 1229.33 | Joback Calculated Property |
| Cp,gas | 1399.54 | J/mol×K | 1268.10 | Joback Calculated Property |
| η | [0.0000149; 0.0002044] | Pa×s | [605.10; 1035.47] |
|
| η | 0.0002044 | Pa×s | 605.10 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 676.83 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 748.56 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 820.28 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 892.01 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 963.74 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 1035.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-(4-methoxyphenyl)cyclohexyl nonyl ester.
Sources
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