- InChI
- InChI=1S/C22H34O4/c1-4-5-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-12-8-6-7-9-13-18(2)3/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
- InChI Key
- IOVNHINTOHPELQ-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCCCCCC
CC(C)C - Molecular Weight1
- 362.51
- Other Names
-
- Phthalic acid, butyl 8-methylnonyl ester
- Butyl isodecyl phthalate
- 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).
- 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 | 1.0435 | Relay (1.0) Calculated Property | |
| ΔfG° | -386.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.797 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1114.08 | kPa | Joback Calculated Property |
| Tboil | 647.31 | K | Relay (1.0) Calculated Property |
| Tc | 846.52 | K | Relay (1.0) Calculated Property |
| Tfus | 253.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.169 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [983.36; 1065.84] | J/mol×K | [850.62; 1049.05] | 
|
| Cp,gas | 983.36 | J/mol×K | 850.62 | Joback Calculated Property |
| Cp,gas | 1000.23 | J/mol×K | 883.69 | Joback Calculated Property |
| Cp,gas | 1015.81 | J/mol×K | 916.76 | Joback Calculated Property |
| Cp,gas | 1030.13 | J/mol×K | 949.84 | Joback Calculated Property |
| Cp,gas | 1043.23 | J/mol×K | 982.91 | Joback Calculated Property |
| Cp,gas | 1055.12 | J/mol×K | 1015.98 | Joback Calculated Property |
| Cp,gas | 1065.84 | J/mol×K | 1049.05 | Joback Calculated Property |
| η | [0.0000291; 0.0008617] | Pa×s | [446.30; 850.62] |
|
| η | 0.0008617 | Pa×s | 446.30 | Joback Calculated Property |
| η | 0.0003383 | Pa×s | 513.69 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 581.07 | Joback Calculated Property |
| η | 0.0000934 | Pa×s | 648.46 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 715.85 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 783.23 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 850.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, butyl 8-methylnonyl ester.
Sources
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