- InChI
- InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-9-10-16-23-32-28(30)26-21-14-15-22-27(26)29(31)33-24-17-20-25-18-12-11-13-19-25/h11-15,18-19,26-27H,2-10,16-17,20-24H2,1H3
- InChI Key
- OYQHZDQQFVVJHB-UHFFFAOYSA-N
- Formula
- C29H44O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CC=CCC1C(=
O)OCCCc1ccccc1 - Molecular Weight1
- 456.67
- 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 | 1.0958 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.209 | Crippen Calculated Property | |
| McVol | 395.430 | ml/mol | McGowan Calculated Property |
| Pc | 838.70 | kPa | Joback Calculated Property |
| Inp | [3328.00; 3328.00] |
|
|
| Inp | 3328.00 | NIST | |
| Inp | 3328.00 | NIST | |
| Tboil | 712.19 | K | Relay (1.0) Calculated Property |
| Tc | 927.41 | K | Relay (1.0) Calculated Property |
| Tfus | 316.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.443 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.77; 1373.59] | 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 | -5.84460e+01 | |||
| Coefficient B | 2.60992e+00 | |||
| Coefficient C | -1.40868e-03 | |||
| Coefficient D | 2.30800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 553.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 698.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 828.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 944.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1045.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1134.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1210.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1275.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1329.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1373.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004208; 0.0000288] | Pa×s | [531.57; 874.45] |
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 | -1.46110e+01 | |||
| Coefficient B | 3.63476e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 531.57 | |||
| Temperature range, max. | 874.45 | |||
| η | 0.0004208 | Pa×s | 531.57 | Calculated Property |
| η | 0.0002664 | Pa×s | 569.67 | Calculated Property |
| η | 0.0001786 | Pa×s | 607.77 | Calculated Property |
| η | 0.0001255 | Pa×s | 645.86 | Calculated Property |
| η | 0.0000917 | Pa×s | 683.96 | Calculated Property |
| η | 0.0000693 | Pa×s | 722.06 | Calculated Property |
| η | 0.0000538 | Pa×s | 760.16 | Calculated Property |
| η | 0.0000429 | Pa×s | 798.26 | Calculated Property |
| η | 0.0000348 | Pa×s | 836.36 | Calculated Property |
| η | 0.0000288 | Pa×s | 874.45 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 3-phenylpropyl ester.
Sources
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