- InChI
- InChI=1S/C30H50O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-29(31)27-20-19-21-28(25-27)30(32)34-24-22-26(3)5-2/h19-21,25-26H,4-18,22-24H2,1-3H3
- InChI Key
- VMKUUXGGKHMCRH-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C
(=O)OCCC(C)CC)c1 - Molecular Weight1
- 474.72
- 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 | 1.3288 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1061.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.918 | Crippen Calculated Property | |
| McVol | 424.680 | ml/mol | McGowan Calculated Property |
| Pc | 737.62 | kPa | Joback Calculated Property |
| Inp | 3452.00 | NIST | |
| Tboil | 704.16 | K | Relay (1.0) Calculated Property |
| Tc | 904.58 | K | Relay (1.0) Calculated Property |
| Tfus | 289.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1497.00; 1580.48] | J/mol×K | [1069.60; 1321.85] | 
|
| Cp,gas | 1497.00 | J/mol×K | 1069.60 | Joback Calculated Property |
| Cp,gas | 1515.79 | J/mol×K | 1111.64 | Joback Calculated Property |
| Cp,gas | 1532.50 | J/mol×K | 1153.68 | Joback Calculated Property |
| Cp,gas | 1547.22 | J/mol×K | 1195.73 | Joback Calculated Property |
| Cp,gas | 1560.06 | J/mol×K | 1237.77 | Joback Calculated Property |
| Cp,gas | 1571.11 | J/mol×K | 1279.81 | Joback Calculated Property |
| Cp,gas | 1580.48 | J/mol×K | 1321.85 | Joback Calculated Property |
| η | [0.0000111; 0.0001997] | Pa×s | [596.12; 1069.60] |
|
| η | 0.0001997 | Pa×s | 596.12 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 675.03 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 753.95 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 832.86 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 911.77 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 990.69 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 1069.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexadecyl 3-methylpentyl ester.
Sources
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