- InChI
- InChI=1S/C27H42O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-31-25(29)27(3,4)26(30)32-24-19-17-23(18-20-24)22(2)28/h17-20H,5-16,21H2,1-4H3
- InChI Key
- AUPADCMNMPOLIE-UHFFFAOYSA-N
- Formula
- C27H42O5
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)(C)C(=
O)Oc1ccc(C(C)=O)cc1 - Molecular Weight1
- 446.62
- 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 | 1.1843 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1106.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.065 | Crippen Calculated Property | |
| McVol | 383.980 | ml/mol | McGowan Calculated Property |
| Pc | 907.24 | kPa | Joback Calculated Property |
| Inp | 3124.00 | NIST | |
| Tboil | 676.90 | K | Relay (1.0) Calculated Property |
| Tc | 904.52 | K | Relay (1.0) Calculated Property |
| Tfus | 333.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1319.61; 1393.26] | J/mol×K | [1052.04; 1289.96] | 
|
| Cp,gas | 1319.61 | J/mol×K | 1052.04 | Joback Calculated Property |
| Cp,gas | 1335.49 | J/mol×K | 1091.69 | Joback Calculated Property |
| Cp,gas | 1349.81 | J/mol×K | 1131.35 | Joback Calculated Property |
| Cp,gas | 1362.65 | J/mol×K | 1171.00 | Joback Calculated Property |
| Cp,gas | 1374.11 | J/mol×K | 1210.65 | Joback Calculated Property |
| Cp,gas | 1384.28 | J/mol×K | 1250.31 | Joback Calculated Property |
| Cp,gas | 1393.26 | J/mol×K | 1289.96 | Joback Calculated Property |
| η | [0.0000136; 0.0001810] | Pa×s | [629.66; 1052.04] |
|
| η | 0.0001810 | Pa×s | 629.66 | Joback Calculated Property |
| η | 0.0000947 | Pa×s | 700.06 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 770.45 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 840.85 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 911.25 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 981.64 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 1052.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-acetylphenyl tetradecyl ester.
Sources
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