- InChI
- InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-14-20-30-26(28)24-18-15-19-25(21-24)27(29)31-22-23-16-12-11-13-17-23/h15,18-19,21,23H,2-14,16-17,20,22H2,1H3
- InChI Key
- QOZLNVJFHYODSU-UHFFFAOYSA-N
- Formula
- C27H42O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OCC2CCCCC2)c1 - Molecular Weight1
- 430.62
- 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 | 1.1565 | Relay (1.0) Calculated Property | |
| ΔfG° | -164.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -955.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.501 | Crippen Calculated Property | |
| McVol | 371.550 | ml/mol | McGowan Calculated Property |
| Pc | 978.40 | kPa | Joback Calculated Property |
| Inp | [3396.00; 3396.00] |
|
|
| Inp | 3396.00 | NIST | |
| Inp | 3396.00 | NIST | |
| Tboil | 719.00 | K | Relay (1.0) Calculated Property |
| Tc | 925.68 | K | Relay (1.0) Calculated Property |
| Tfus | 296.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.382 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1300.74; 1374.66] | J/mol×K | [1020.95; 1250.04] |
|
| Cp,gas | 1300.74 | J/mol×K | 1020.95 | Joback Calculated Property |
| Cp,gas | 1317.35 | J/mol×K | 1059.13 | Joback Calculated Property |
| Cp,gas | 1332.17 | J/mol×K | 1097.31 | Joback Calculated Property |
| Cp,gas | 1345.24 | J/mol×K | 1135.49 | Joback Calculated Property |
| Cp,gas | 1356.63 | J/mol×K | 1173.67 | Joback Calculated Property |
| Cp,gas | 1366.42 | J/mol×K | 1211.86 | Joback Calculated Property |
| Cp,gas | 1374.66 | J/mol×K | 1250.04 | Joback Calculated Property |
| η | [0.0000200; 0.0002982] | Pa×s | [584.69; 1020.95] |
|
| η | 0.0002982 | Pa×s | 584.69 | Joback Calculated Property |
| η | 0.0001482 | Pa×s | 657.40 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 730.11 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 802.82 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 875.53 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 948.24 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 1020.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclohexylmethyl dodecyl ester.
Sources
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