- InChI
- InChI=1S/C21H32O4/c1-4-5-6-7-11-16-24-19(22)21(2,3)20(23)25-17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3
- InChI Key
- JPBMFFPSKJVVCN-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCCOC(=O)C(C)(C)C(=O)OCCCc
1ccccc1 - Molecular Weight1
- 348.48
- 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 | 0.9020 | Relay (1.0) Calculated Property | |
| ΔfG° | -379.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.702 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1210.67 | kPa | Joback Calculated Property |
| Inp | 2324.00 | NIST | |
| Tboil | 628.76 | K | Relay (1.0) Calculated Property |
| Tc | 835.62 | K | Relay (1.0) Calculated Property |
| Tfus | 270.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.118 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.80; 1008.30] | J/mol×K | [819.97; 1019.50] | 
|
| Cp,gas | 924.80 | J/mol×K | 819.97 | Joback Calculated Property |
| Cp,gas | 941.67 | J/mol×K | 853.23 | Joback Calculated Property |
| Cp,gas | 957.30 | J/mol×K | 886.48 | Joback Calculated Property |
| Cp,gas | 971.72 | J/mol×K | 919.74 | Joback Calculated Property |
| Cp,gas | 985.00 | J/mol×K | 952.99 | Joback Calculated Property |
| Cp,gas | 997.17 | J/mol×K | 986.25 | Joback Calculated Property |
| Cp,gas | 1008.30 | J/mol×K | 1019.50 | Joback Calculated Property |
| η | [0.0000291; 0.0009833] | Pa×s | [439.93; 819.97] |
|
| η | 0.0009833 | Pa×s | 439.93 | Joback Calculated Property |
| η | 0.0003781 | Pa×s | 503.27 | Joback Calculated Property |
| η | 0.0001800 | Pa×s | 566.61 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 629.95 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 693.29 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 756.63 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 819.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptyl 3-phenylpropyl ester.
Sources
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