- InChI
- InChI=1S/C31H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-30(32)28-22-21-23-29(25-28)31(33)35-27(4)26(3)6-2/h21-23,25-27H,5-20,24H2,1-4H3
- InChI Key
- YHMYHRUHBKTLMM-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1cccc(
C(=O)OC(C)C(C)CC)c1 - Molecular Weight1
- 488.74
- Other Names
-
- Isophthalic acid, heptadecyl 3-methylbut-2-yl ester
- 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 | 1.3251 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.306 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 703.59 | kPa | Joback Calculated Property |
| Inp | 3569.00 | NIST | |
| Tboil | 703.90 | K | Relay (1.0) Calculated Property |
| Tc | 907.89 | K | Relay (1.0) Calculated Property |
| Tfus | 295.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1561.07; 1643.16] | J/mol×K | [1092.04; 1353.20] | 
|
| Cp,gas | 1561.07 | J/mol×K | 1092.04 | Joback Calculated Property |
| Cp,gas | 1579.98 | J/mol×K | 1135.57 | Joback Calculated Property |
| Cp,gas | 1596.64 | J/mol×K | 1179.09 | Joback Calculated Property |
| Cp,gas | 1611.18 | J/mol×K | 1222.62 | Joback Calculated Property |
| Cp,gas | 1623.70 | J/mol×K | 1266.15 | Joback Calculated Property |
| Cp,gas | 1634.32 | J/mol×K | 1309.67 | Joback Calculated Property |
| Cp,gas | 1643.16 | J/mol×K | 1353.20 | Joback Calculated Property |
| η | [0.0000086; 0.0001919] | Pa×s | [592.39; 1092.04] |
|
| η | 0.0001919 | Pa×s | 592.39 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 675.67 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 758.94 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 842.22 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 925.49 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 1008.76 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 1092.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptadecyl 3-methylpentyl-2 ester.
Sources
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