- InChI
- InChI=1S/C30H46O4/c1-4-5-6-7-8-9-10-11-18-23-33-28(31)30(2,3)29(32)34-27(26-21-16-13-17-22-26)24-25-19-14-12-15-20-25/h13-14,16-17,19,21-22,25,27H,4-12,15,18,20,23-24H2,1-3H3
- InChI Key
- NTXLBALGKHQCGC-UHFFFAOYSA-N
- Formula
- C30H46O4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)O
C(CC1C=CCCC1)c1ccccc1 - Molecular Weight1
- 470.68
- 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° | -98.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.00 | kJ/mol | Joback Calculated Property |
| log10WS | -8.93 | Crippen Calculated Property | |
| logPoct/wat | 8.117 | Crippen Calculated Property | |
| McVol | 409.520 | ml/mol | McGowan Calculated Property |
| Pc | 861.50 | kPa | Joback Calculated Property |
| Inp | 3090.00 | NIST | |
| Tboil | 1080.10 | K | Joback Calculated Property |
| Tc | 1322.68 | K | Joback Calculated Property |
| Tfus | 594.16 | K | Joback Calculated Property |
| Vc | 1.558 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.91; 1535.20] | J/mol×K | [1080.10; 1322.68] | 
|
| Cp,gas | 1457.91 | J/mol×K | 1080.10 | Joback Calculated Property |
| Cp,gas | 1474.59 | J/mol×K | 1120.53 | Joback Calculated Property |
| Cp,gas | 1489.57 | J/mol×K | 1160.96 | Joback Calculated Property |
| Cp,gas | 1503.00 | J/mol×K | 1201.39 | Joback Calculated Property |
| Cp,gas | 1514.99 | J/mol×K | 1241.82 | Joback Calculated Property |
| Cp,gas | 1525.68 | J/mol×K | 1282.25 | Joback Calculated Property |
| Cp,gas | 1535.20 | J/mol×K | 1322.68 | Joback Calculated Property |
| η | [0.0000090; 0.0002187] | Pa×s | [594.16; 1080.10] |
|
| η | 0.0002187 | Pa×s | 594.16 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 675.15 | Joback Calculated Property |
| η | 0.0000479 | Pa×s | 756.14 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 837.13 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 918.12 | Joback Calculated Property |
| η | 0.0000124 | Pa×s | 999.11 | Joback Calculated Property |
| η | 0.0000090 | Pa×s | 1080.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl undecyl ester.
Sources
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