- InChI
- InChI=1S/C18H24O4/c1-2-11-21-17(19)15-9-6-10-16(12-15)18(20)22-13-14-7-4-3-5-8-14/h6,9-10,12,14H,2-5,7-8,11,13H2,1H3
- InChI Key
- TZZRPBFNJJPQCN-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCC2CCCCC
2)c1 - Molecular Weight1
- 304.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -239.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.96 | Crippen Calculated Property | |
| logPoct/wat | 3.990 | Crippen Calculated Property | |
| McVol | 244.740 | ml/mol | McGowan Calculated Property |
| Pc | 1837.26 | kPa | Joback Calculated Property |
| Inp | [2433.00; 2433.00] |
|
|
| Inp | 2433.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Tboil | 815.03 | K | Joback Calculated Property |
| Tc | 1038.33 | K | Joback Calculated Property |
| Tfus | 483.26 | K | Joback Calculated Property |
| Vc | 0.916 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.87; 836.90] | J/mol×K | [815.03; 1038.33] |
|
| Cp,gas | 755.87 | J/mol×K | 815.03 | Joback Calculated Property |
| Cp,gas | 772.90 | J/mol×K | 852.25 | Joback Calculated Property |
| Cp,gas | 788.49 | J/mol×K | 889.46 | Joback Calculated Property |
| Cp,gas | 802.66 | J/mol×K | 926.68 | Joback Calculated Property |
| Cp,gas | 815.43 | J/mol×K | 963.90 | Joback Calculated Property |
| Cp,gas | 826.83 | J/mol×K | 1001.11 | Joback Calculated Property |
| Cp,gas | 836.90 | J/mol×K | 1038.33 | Joback Calculated Property |
| η | [0.0000749; 0.0008245] | Pa×s | [483.26; 815.03] |
|
| η | 0.0008245 | Pa×s | 483.26 | Joback Calculated Property |
| η | 0.0004502 | Pa×s | 538.55 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 593.85 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 649.14 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 704.44 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 759.73 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 815.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclohexylmethyl propyl ester.
Sources
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