- InChI
- InChI=1S/C30H46O4/c1-3-5-7-9-11-12-13-14-16-18-20-25-34-30(32)28-23-21-22-27(26-28)29(31)33-24-19-17-15-10-8-6-4-2/h21-23,26H,3-17,19,24-25H2,1-2H3
- InChI Key
- SLQBTALBQCUELL-UHFFFAOYSA-N
- Formula
- C30H46O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1cccc(C(=
O)OCCCCCCCCC)c1 - Molecular Weight1
- 470.68
- 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 | 1.2687 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -779.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.285 | Crippen Calculated Property | |
| McVol | 416.080 | ml/mol | McGowan Calculated Property |
| Pc | 802.51 | kPa | Joback Calculated Property |
| Inp | [3587.00; 3587.00] |
|
|
| Inp | 3587.00 | NIST | |
| Inp | 3587.00 | NIST | |
| Tboil | 699.73 | K | Relay (1.0) Calculated Property |
| Tc | 917.12 | K | Relay (1.0) Calculated Property |
| Tfus | 302.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.545 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1437.85; 1514.06] | J/mol×K | [1079.04; 1327.07] |
|
| Cp,gas | 1437.85 | J/mol×K | 1079.04 | Joback Calculated Property |
| Cp,gas | 1455.02 | J/mol×K | 1120.38 | Joback Calculated Property |
| Cp,gas | 1470.30 | J/mol×K | 1161.72 | Joback Calculated Property |
| Cp,gas | 1483.76 | J/mol×K | 1203.06 | Joback Calculated Property |
| Cp,gas | 1495.48 | J/mol×K | 1244.40 | Joback Calculated Property |
| Cp,gas | 1505.55 | J/mol×K | 1285.73 | Joback Calculated Property |
| Cp,gas | 1514.06 | J/mol×K | 1327.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, nonyl tridec-2-ynyl ester.
Sources
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