- InChI
- InChI=1S/C29H46O4/c1-5-6-7-8-9-10-11-12-13-21-32-28(30)26-18-15-19-27(23-26)29(31)33-22-20-25(4)17-14-16-24(2)3/h15-16,18-19,23,25H,5-14,17,20-22H2,1-4H3
- InChI Key
- UQYBJKZUZFISSN-UHFFFAOYSA-N
- Formula
- C29H46O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
CCC(C)CCC=C(C)C)c1 - Molecular Weight1
- 458.67
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.2077 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.304 | Crippen Calculated Property | |
| McVol | 406.290 | ml/mol | McGowan Calculated Property |
| Pc | 802.97 | kPa | Joback Calculated Property |
| Inp | 3285.00 | NIST | |
| Tboil | 703.19 | K | Relay (1.0) Calculated Property |
| Tc | 897.30 | K | Relay (1.0) Calculated Property |
| Tfus | 282.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.492 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1404.30; 1491.16] | J/mol×K | [1050.76; 1290.45] | 
|
| Cp,gas | 1404.30 | J/mol×K | 1050.76 | Joback Calculated Property |
| Cp,gas | 1422.54 | J/mol×K | 1090.71 | Joback Calculated Property |
| Cp,gas | 1439.14 | J/mol×K | 1130.66 | Joback Calculated Property |
| Cp,gas | 1454.20 | J/mol×K | 1170.61 | Joback Calculated Property |
| Cp,gas | 1467.83 | J/mol×K | 1210.56 | Joback Calculated Property |
| Cp,gas | 1480.11 | J/mol×K | 1250.51 | Joback Calculated Property |
| Cp,gas | 1491.16 | J/mol×K | 1290.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,7-dimethyloct-6-enyl undecyl ester.
Sources
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