- InChI
- InChI=1S/C30H34O4/c1-3-5-7-9-15-29(31)33-27-21-17-25(18-22-27)13-11-12-14-26-19-23-28(24-20-26)34-30(32)16-10-8-6-4-2/h17-24H,3-10,15-16H2,1-2H3
- InChI Key
- SUMRTVAVHVZJSN-UHFFFAOYSA-N
- Formula
- C30H34O4
- SMILES
-
CCCCCCC(=O)Oc1ccc(C#CC#Cc2ccc(
OC(=O)CCCCCC)cc2)cc1 - Molecular Weight1
- 458.59
- CAS
- 92341-27-0
- 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).
- 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 | 1.0939 | Relay (1.0) Calculated Property | |
| ΔfG° | 345.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.841 | Crippen Calculated Property | |
| McVol | 383.720 | ml/mol | McGowan Calculated Property |
| Pc | 1072.17 | kPa | Joback Calculated Property |
| Tboil | 724.38 | K | Relay (1.0) Calculated Property |
| Tc | 972.76 | K | Relay (1.0) Calculated Property |
| Tfus | 387.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.379 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1261.80; 1312.33] | J/mol×K | [1119.70; 1371.87] | 
|
| Cp,gas | 1261.80 | J/mol×K | 1119.70 | Joback Calculated Property |
| Cp,gas | 1274.15 | J/mol×K | 1161.73 | Joback Calculated Property |
| Cp,gas | 1284.83 | J/mol×K | 1203.76 | Joback Calculated Property |
| Cp,gas | 1293.90 | J/mol×K | 1245.78 | Joback Calculated Property |
| Cp,gas | 1301.46 | J/mol×K | 1287.81 | Joback Calculated Property |
| Cp,gas | 1307.57 | J/mol×K | 1329.84 | Joback Calculated Property |
| Cp,gas | 1312.33 | J/mol×K | 1371.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Diheptanoyloxydiphenyldiacetylene.
Sources
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