- InChI
- InChI=1S/C30H58O4/c1-5-6-7-8-9-10-11-12-13-14-18-25-33-29(31)22-16-15-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h27-28H,5-26H2,1-4H3
- InChI Key
- SJWQEQKFVOZURZ-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
CCC(C)CCCC(C)C - Molecular Weight1
- 482.78
- 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 | 1.3158 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1291.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.187 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 603.09 | kPa | Joback Calculated Property |
| Inp | [3253.00; 3253.00] |
|
|
| Inp | 3253.00 | NIST | |
| Inp | 3253.00 | NIST | |
| Tboil | 679.63 | K | Relay (1.0) Calculated Property |
| Tc | 849.73 | K | Relay (1.0) Calculated Property |
| Tfus | 277.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.711 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.94; 1584.35] | 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 | 2.30720e+01 | |||
| Coefficient B | 2.75608e+00 | |||
| Coefficient C | -1.42540e-03 | |||
| Coefficient D | 2.30600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 673.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 829.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 970.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1096.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1208.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1307.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1393.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1467.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1531.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1584.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005184; 0.0000128] | Pa×s | [482.52; 873.40] |
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 | -1.58344e+01 | |||
| Coefficient B | 3.99032e+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. | 482.52 | |||
| Temperature range, max. | 873.40 | |||
| η | 0.0005184 | Pa×s | 482.52 | Calculated Property |
| η | 0.0002619 | Pa×s | 525.95 | Calculated Property |
| η | 0.0001468 | Pa×s | 569.38 | Calculated Property |
| η | 0.0000894 | Pa×s | 612.81 | Calculated Property |
| η | 0.0000581 | Pa×s | 656.24 | Calculated Property |
| η | 0.0000398 | Pa×s | 699.68 | Calculated Property |
| η | 0.0000285 | Pa×s | 743.11 | Calculated Property |
| η | 0.0000212 | Pa×s | 786.54 | Calculated Property |
| η | 0.0000163 | Pa×s | 829.97 | Calculated Property |
| η | 0.0000128 | Pa×s | 873.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl tridecyl ester.
Sources
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