- InChI
- InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-33-28(31)30(2,3)29(32)34-26-24-27-22-19-18-20-23-27/h18-20,22-23H,4-17,21,24-26H2,1-3H3
- InChI Key
- VIKULCUMGIVBOS-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)OCCc1ccccc1 - Molecular Weight1
- 474.72
- 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 | 1.2350 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1023.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.213 | Crippen Calculated Property | |
| McVol | 424.680 | ml/mol | McGowan Calculated Property |
| Pc | 715.68 | kPa | Joback Calculated Property |
| Inp | 3239.00 | NIST | |
| Tboil | 686.55 | K | Relay (1.0) Calculated Property |
| Tc | 899.62 | K | Relay (1.0) Calculated Property |
| Tfus | 293.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.609 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1479.63; 1568.28] | J/mol×K | [1025.89; 1261.21] | 
|
| Cp,gas | 1479.63 | J/mol×K | 1025.89 | Joback Calculated Property |
| Cp,gas | 1498.40 | J/mol×K | 1065.11 | Joback Calculated Property |
| Cp,gas | 1515.41 | J/mol×K | 1104.33 | Joback Calculated Property |
| Cp,gas | 1530.78 | J/mol×K | 1143.55 | Joback Calculated Property |
| Cp,gas | 1544.64 | J/mol×K | 1182.77 | Joback Calculated Property |
| Cp,gas | 1557.10 | J/mol×K | 1221.99 | Joback Calculated Property |
| Cp,gas | 1568.28 | J/mol×K | 1261.21 | Joback Calculated Property |
| η | [0.0000067; 0.0002576] | Pa×s | [541.36; 1025.89] |
|
| η | 0.0002576 | Pa×s | 541.36 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 622.11 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 702.87 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 783.62 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 864.38 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 945.13 | Joback Calculated Property |
| η | 0.0000067 | Pa×s | 1025.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl 2-phenethyl ester.
Sources
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