- InChI
- InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-28(31)30(2,3)29(32)34-26-21-24-27-22-18-17-19-23-27/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3
- InChI Key
- LXNZRRXLDWPSCD-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C
(=O)OCCCc1ccccc1 - Molecular Weight1
- 474.73
- 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 | 1.2338 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1030.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.76 | 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 | [3242.00; 3242.00] |
|
|
| Inp | 3242.00 | NIST | |
| Inp | 3242.00 | NIST | |
| Tboil | 690.27 | K | Relay (1.0) Calculated Property |
| Tc | 899.24 | K | Relay (1.0) Calculated Property |
| Tfus | 294.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.609 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.85; 1466.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.19420e+01 | |||
| Coefficient B | 2.79116e+00 | |||
| Coefficient C | -1.62200e-03 | |||
| Coefficient D | 3.29000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 615.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 767.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 901.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1020.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1125.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1216.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1294.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1361.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1418.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1466.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002576; 0.0000129] | Pa×s | [541.36; 882.85] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.60013e+01 | |||
| Coefficient B | 4.18864e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 541.36 | |||
| Temperature range, max. | 882.85 | |||
| η | 0.0002576 | Pa×s | 541.36 | Calculated Property |
| η | 0.0001552 | Pa×s | 579.30 | Calculated Property |
| η | 0.0000995 | Pa×s | 617.25 | Calculated Property |
| η | 0.0000672 | Pa×s | 655.19 | Calculated Property |
| η | 0.0000473 | Pa×s | 693.13 | Calculated Property |
| η | 0.0000346 | Pa×s | 731.07 | Calculated Property |
| η | 0.0000261 | Pa×s | 769.02 | Calculated Property |
| η | 0.0000202 | Pa×s | 806.96 | Calculated Property |
| η | 0.0000160 | Pa×s | 844.90 | Calculated Property |
| η | 0.0000129 | Pa×s | 882.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexadecyl 3-phenylpropyl ester.
Sources
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