- InChI
- InChI=1S/C31H48O4/c1-4-5-6-7-8-9-10-11-12-19-24-34-29(32)31(2,3)30(33)35-28(27-22-17-14-18-23-27)25-26-20-15-13-16-21-26/h14-15,17-18,20,22-23,26,28H,4-13,16,19,21,24-25H2,1-3H3
- InChI Key
- RBFFBCDOGUOTEA-UHFFFAOYSA-N
- Formula
- C31H48O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)
OC(CC1C=CCCC1)c1ccccc1 - Molecular Weight1
- 484.71
- 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 | 1.0607 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.508 | Crippen Calculated Property | |
| McVol | 423.610 | ml/mol | McGowan Calculated Property |
| Pc | 814.93 | kPa | Joback Calculated Property |
| Inp | 3193.00 | NIST | |
| Tboil | 701.00 | K | Relay (1.0) Calculated Property |
| Tc | 932.17 | K | Relay (1.0) Calculated Property |
| Tfus | 294.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.545 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1521.22; 1598.98] | J/mol×K | [1102.98; 1352.18] | 
|
| Cp,gas | 1521.22 | J/mol×K | 1102.98 | Joback Calculated Property |
| Cp,gas | 1538.07 | J/mol×K | 1144.51 | Joback Calculated Property |
| Cp,gas | 1553.17 | J/mol×K | 1186.05 | Joback Calculated Property |
| Cp,gas | 1566.67 | J/mol×K | 1227.58 | Joback Calculated Property |
| Cp,gas | 1578.70 | J/mol×K | 1269.11 | Joback Calculated Property |
| Cp,gas | 1589.42 | J/mol×K | 1310.65 | Joback Calculated Property |
| Cp,gas | 1598.98 | J/mol×K | 1352.18 | Joback Calculated Property |
| η | [0.0000076; 0.0001890] | Pa×s | [605.43; 1102.98] |
|
| η | 0.0001890 | Pa×s | 605.43 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 688.36 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 771.28 | Joback Calculated Property |
| η | 0.0000238 | Pa×s | 854.21 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 937.13 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 1020.06 | Joback Calculated Property |
| η | 0.0000076 | Pa×s | 1102.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, dodecyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester.
Sources
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