- InChI
- InChI=1S/C16H20O4/c1-3-5-8-12-20-16(18)14-10-7-6-9-13(14)15(17)19-11-4-2/h3,6-7,9-10H,1,4-5,8,11-12H2,2H3
- InChI Key
- HOYPGSJPTTYNDE-UHFFFAOYSA-N
- Formula
- C16H20O4
- SMILES
- C=CCCCOC(=O)c1ccccc1C(=O)OCCC
- Molecular Weight1
- 276.33
- 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° | -193.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.376 | Crippen Calculated Property | |
| McVol | 223.120 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| Inp | [1970.00; 1970.00] |
|
|
| Inp | 1970.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Tboil | 746.40 | K | Joback Calculated Property |
| Tc | 950.98 | K | Joback Calculated Property |
| Tfus | 451.58 | K | Joback Calculated Property |
| Vc | 0.853 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.45; 696.94] | J/mol×K | [746.40; 950.98] |
|
| Cp,gas | 623.45 | J/mol×K | 746.40 | Joback Calculated Property |
| Cp,gas | 638.04 | J/mol×K | 780.50 | Joback Calculated Property |
| Cp,gas | 651.67 | J/mol×K | 814.59 | Joback Calculated Property |
| Cp,gas | 664.35 | J/mol×K | 848.69 | Joback Calculated Property |
| Cp,gas | 676.12 | J/mol×K | 882.79 | Joback Calculated Property |
| Cp,gas | 686.98 | J/mol×K | 916.89 | Joback Calculated Property |
| Cp,gas | 696.94 | J/mol×K | 950.98 | Joback Calculated Property |
| η | [0.0000989; 0.0008584] | Pa×s | [451.58; 746.40] |
|
| η | 0.0008584 | Pa×s | 451.58 | Joback Calculated Property |
| η | 0.0005018 | Pa×s | 500.72 | Joback Calculated Property |
| η | 0.0003229 | Pa×s | 549.85 | Joback Calculated Property |
| η | 0.0002233 | Pa×s | 598.99 | Joback Calculated Property |
| η | 0.0001634 | Pa×s | 648.13 | Joback Calculated Property |
| η | 0.0001249 | Pa×s | 697.26 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 746.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pent-4-enyl propyl ester.
Sources
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