- InChI
- InChI=1S/C30H38O4/c1-9-12-23(7)27(18-16-21(3)4)33-29(31)25-14-11-15-26(20-25)30(32)34-28(19-17-22(5)6)24(8)13-10-2/h11,14-15,20,23-24,27-28H,3,5,9-10,12-13H2,1-2,4,6-8H3
- InChI Key
- XVRBRLLOCVQTRB-UHFFFAOYSA-N
- Formula
- C30H38O4
- SMILES
-
C=C(C)C#CC(OC(=O)c1cccc(C(=O)O
C(C#CC(=C)C)C(C)CCC)c1)C(C)CCC - Molecular Weight1
- 462.62
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8924 | Relay (1.0) Calculated Property | |
| ΔfG° | 391.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.769 | Crippen Calculated Property | |
| McVol | 398.880 | ml/mol | McGowan Calculated Property |
| Pc | 950.25 | kPa | Joback Calculated Property |
| Inp | [3013.00; 3013.00] |
|
|
| Inp | 3013.00 | NIST | |
| Inp | 3013.00 | NIST | |
| Tboil | 681.23 | K | Relay (1.0) Calculated Property |
| Tc | 899.51 | K | Relay (1.0) Calculated Property |
| Tfus | 332.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1317.01; 1385.00] | J/mol×K | [1079.40; 1323.12] |
|
| Cp,gas | 1317.01 | J/mol×K | 1079.40 | Joback Calculated Property |
| Cp,gas | 1331.98 | J/mol×K | 1120.02 | Joback Calculated Property |
| Cp,gas | 1345.38 | J/mol×K | 1160.64 | Joback Calculated Property |
| Cp,gas | 1357.30 | J/mol×K | 1201.26 | Joback Calculated Property |
| Cp,gas | 1367.82 | J/mol×K | 1241.88 | Joback Calculated Property |
| Cp,gas | 1377.03 | J/mol×K | 1282.50 | Joback Calculated Property |
| Cp,gas | 1385.00 | J/mol×K | 1323.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester.
Sources
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