- InChI
- InChI=1S/C21H18O4/c1-2-13-24-20(22)16-9-5-10-17(14-16)21(23)25-19-12-6-8-15-7-3-4-11-18(15)19/h3-12,14H,2,13H2,1H3
- InChI Key
- DAVSXTYHXUCMHT-UHFFFAOYSA-N
- Formula
- C21H18O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2cccc3c
cccc23)c1 - Molecular Weight1
- 334.37
- 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° | -29.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.17 | kJ/mol | Joback Calculated Property |
| log10WS | -6.44 | Crippen Calculated Property | |
| logPoct/wat | 4.626 | Crippen Calculated Property | |
| McVol | 254.650 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | [2969.00; 2969.00] |
|
|
| Inp | 2969.00 | NIST | |
| Inp | 2969.00 | NIST | |
| Tboil | 914.76 | K | Joback Calculated Property |
| Tc | 1155.83 | K | Joback Calculated Property |
| Tfus | 581.33 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.45; 817.90] | J/mol×K | [914.76; 1155.83] |
|
| Cp,gas | 758.45 | J/mol×K | 914.76 | Joback Calculated Property |
| Cp,gas | 771.10 | J/mol×K | 954.94 | Joback Calculated Property |
| Cp,gas | 782.55 | J/mol×K | 995.12 | Joback Calculated Property |
| Cp,gas | 792.88 | J/mol×K | 1035.30 | Joback Calculated Property |
| Cp,gas | 802.17 | J/mol×K | 1075.47 | Joback Calculated Property |
| Cp,gas | 810.48 | J/mol×K | 1115.65 | Joback Calculated Property |
| Cp,gas | 817.90 | J/mol×K | 1155.83 | Joback Calculated Property |
| η | [0.0001012; 0.0005468] | Pa×s | [581.33; 914.76] |
|
| η | 0.0005468 | Pa×s | 581.33 | Joback Calculated Property |
| η | 0.0003651 | Pa×s | 636.90 | Joback Calculated Property |
| η | 0.0002601 | Pa×s | 692.47 | Joback Calculated Property |
| η | 0.0001949 | Pa×s | 748.05 | Joback Calculated Property |
| η | 0.0001519 | Pa×s | 803.62 | Joback Calculated Property |
| η | 0.0001224 | Pa×s | 859.19 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 914.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 1-naphthyl propyl ester.
Sources
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