- InChI
- InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-6-4-2/h4,18-19,22-23H,2-3,5-17,20-21,24-25H2,1H3
- InChI Key
- AZPBGVBWYPQXDI-UHFFFAOYSA-N
- Formula
- C29H46O4
- SMILES
-
C=CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCCCCCCCCCCC - Molecular Weight1
- 458.67
- 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 | 1.2911 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -920.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.448 | Crippen Calculated Property | |
| McVol | 406.290 | ml/mol | McGowan Calculated Property |
| Pc | 757.23 | kPa | Joback Calculated Property |
| Inp | 3259.00 | NIST | |
| Tboil | 718.73 | K | Relay (1.0) Calculated Property |
| Tc | 906.16 | K | Relay (1.0) Calculated Property |
| Tfus | 281.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1385.52; 1467.86] | J/mol×K | [1007.90; 1238.31] | 
|
| Cp,gas | 1385.52 | J/mol×K | 1007.90 | Joback Calculated Property |
| Cp,gas | 1403.44 | J/mol×K | 1046.30 | Joback Calculated Property |
| Cp,gas | 1419.57 | J/mol×K | 1084.70 | Joback Calculated Property |
| Cp,gas | 1434.00 | J/mol×K | 1123.10 | Joback Calculated Property |
| Cp,gas | 1446.80 | J/mol×K | 1161.51 | Joback Calculated Property |
| Cp,gas | 1458.06 | J/mol×K | 1199.91 | Joback Calculated Property |
| Cp,gas | 1467.86 | J/mol×K | 1238.31 | Joback Calculated Property |
| η | [0.0000116; 0.0002945] | Pa×s | [538.43; 1007.90] |
|
| η | 0.0002945 | Pa×s | 538.43 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 616.68 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 694.92 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 773.16 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 851.41 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 929.65 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 1007.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexadecyl pent-4-enyl ester.
Sources
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