- 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° | -226.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.18 | 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 | 1282.83 | kPa | Joback Calculated Property |
| Inp | 2324.00 | NIST | |
| Tboil | 628.76 | K | Relay (1.0) Calculated Property |
| Tc | 833.09 | K | Relay (1.0) Calculated Property |
| Tfus | 274.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.115 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.54; 1021.19] | J/mol×K | [855.91; 1060.47] | 
|
| Cp,gas | 938.54 | J/mol×K | 855.91 | Joback Calculated Property |
| Cp,gas | 955.09 | J/mol×K | 890.00 | Joback Calculated Property |
| Cp,gas | 970.47 | J/mol×K | 924.10 | Joback Calculated Property |
| Cp,gas | 984.71 | J/mol×K | 958.19 | Joback Calculated Property |
| Cp,gas | 997.88 | J/mol×K | 992.28 | Joback Calculated Property |
| Cp,gas | 1010.03 | J/mol×K | 1026.38 | Joback Calculated Property |
| Cp,gas | 1021.19 | J/mol×K | 1060.47 | Joback Calculated Property |
| η | [0.0000370; 0.0005772] | Pa×s | [499.59; 855.91] |
|
| η | 0.0005772 | Pa×s | 499.59 | Joback Calculated Property |
| η | 0.0002862 | Pa×s | 558.98 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 618.36 | Joback Calculated Property |
| η | 0.0001018 | Pa×s | 677.75 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 737.14 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 796.52 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 855.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptyl 3-phenylpropyl ester.
Sources
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