- InChI
- InChI=1S/C30H46O4/c1-23(2)17-19-27(21-25(5)6)33-29(31)15-13-11-9-10-12-14-16-30(32)34-28(22-26(7)8)20-18-24(3)4/h25-28H,1,3,9-16,21-22H2,2,4-8H3
- InChI Key
- RWCRNVDNRCOPEL-UHFFFAOYSA-N
- Formula
- C30H46O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCC
CCC(=O)OC(C#CC(=C)C)CC(C)C - Molecular Weight1
- 470.68
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 288.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.26 | kJ/mol | Joback Calculated Property |
| log10WS | -9.14 | Crippen Calculated Property | |
| logPoct/wat | 7.182 | Crippen Calculated Property | |
| McVol | 422.640 | ml/mol | McGowan Calculated Property |
| Pc | 789.04 | kPa | Joback Calculated Property |
| Inp | 2381.00 | NIST | |
| Tboil | 1047.74 | K | Joback Calculated Property |
| Tc | 1283.38 | K | Joback Calculated Property |
| Tfus | 692.94 | K | Joback Calculated Property |
| Vc | 1.627 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1428.77; 1514.14] | J/mol×K | [1047.74; 1283.38] | 
|
| Cp,gas | 1428.77 | J/mol×K | 1047.74 | Joback Calculated Property |
| Cp,gas | 1446.86 | J/mol×K | 1087.01 | Joback Calculated Property |
| Cp,gas | 1463.31 | J/mol×K | 1126.29 | Joback Calculated Property |
| Cp,gas | 1478.18 | J/mol×K | 1165.56 | Joback Calculated Property |
| Cp,gas | 1491.56 | J/mol×K | 1204.83 | Joback Calculated Property |
| Cp,gas | 1503.52 | J/mol×K | 1244.10 | Joback Calculated Property |
| Cp,gas | 1514.14 | J/mol×K | 1283.38 | Joback Calculated Property |
Similar Compounds
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Sources
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