- InChI
- InChI=1S/C27H40O4/c1-4-5-6-7-8-15-20-30-25(28)27(2,3)26(29)31-24(23-18-13-10-14-19-23)21-22-16-11-9-12-17-22/h10-11,13-14,16,18-19,22,24H,4-9,12,15,17,20-21H2,1-3H3
- InChI Key
- XFBAGDLWFUZFGA-UHFFFAOYSA-N
- Formula
- C27H40O4
- SMILES
-
CCCCCCCCOC(=O)C(C)(C)C(=O)OC(C
C1C=CCCC1)c1ccccc1 - Molecular Weight1
- 428.60
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -124.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.32 | kJ/mol | Joback Calculated Property |
| log10WS | -7.68 | Crippen Calculated Property | |
| logPoct/wat | 6.947 | Crippen Calculated Property | |
| McVol | 367.250 | ml/mol | McGowan Calculated Property |
| Pc | 1027.94 | kPa | Joback Calculated Property |
| Inp | 2769.00 | NIST | |
| Tboil | 1011.46 | K | Joback Calculated Property |
| Tc | 1241.04 | K | Joback Calculated Property |
| Tfus | 560.35 | K | Joback Calculated Property |
| Vc | 1.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1269.83; 1346.92] | J/mol×K | [1011.46; 1241.04] | 
|
| Cp,gas | 1269.83 | J/mol×K | 1011.46 | Joback Calculated Property |
| Cp,gas | 1286.28 | J/mol×K | 1049.72 | Joback Calculated Property |
| Cp,gas | 1301.16 | J/mol×K | 1087.99 | Joback Calculated Property |
| Cp,gas | 1314.56 | J/mol×K | 1126.25 | Joback Calculated Property |
| Cp,gas | 1326.59 | J/mol×K | 1164.51 | Joback Calculated Property |
| Cp,gas | 1337.35 | J/mol×K | 1202.78 | Joback Calculated Property |
| Cp,gas | 1346.92 | J/mol×K | 1241.04 | Joback Calculated Property |
| η | [0.0000147; 0.0003352] | Pa×s | [560.35; 1011.46] |
|
| η | 0.0003352 | Pa×s | 560.35 | Joback Calculated Property |
| η | 0.0001462 | Pa×s | 635.53 | Joback Calculated Property |
| η | 0.0000760 | Pa×s | 710.72 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 785.90 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 861.09 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 936.27 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 1011.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, octyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester.
Sources
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