- InChI
- InChI=1S/C20H34O4/c1-5-13-17(3)23-19(21)15-11-9-7-8-10-12-16-20(22)24-18(4)14-6-2/h5-6,17-18H,1-2,7-16H2,3-4H3
- InChI Key
- KRIHJLVYCYLOBE-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
C=CCC(C)OC(=O)CCCCCCCCC(=O)OC(
C)CC=C - Molecular Weight1
- 338.48
- 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).
- 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 | 0.8930 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -931.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.123 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1152.22 | kPa | Joback Calculated Property |
| Inp | 2222.00 | NIST | |
| Tboil | 604.65 | K | Relay (1.0) Calculated Property |
| Tc | 767.92 | K | Relay (1.0) Calculated Property |
| Tfus | 263.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.088 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.43; 1005.90] | J/mol×K | [802.06; 988.66] | 
|
| Cp,gas | 916.43 | J/mol×K | 802.06 | Joback Calculated Property |
| Cp,gas | 933.80 | J/mol×K | 833.16 | Joback Calculated Property |
| Cp,gas | 950.16 | J/mol×K | 864.26 | Joback Calculated Property |
| Cp,gas | 965.52 | J/mol×K | 895.36 | Joback Calculated Property |
| Cp,gas | 979.91 | J/mol×K | 926.46 | Joback Calculated Property |
| Cp,gas | 993.36 | J/mol×K | 957.56 | Joback Calculated Property |
| Cp,gas | 1005.90 | J/mol×K | 988.66 | Joback Calculated Property |
| η | [0.0000512; 0.0012128] | Pa×s | [425.96; 802.06] |
|
| η | 0.0012128 | Pa×s | 425.96 | Joback Calculated Property |
| η | 0.0005101 | Pa×s | 488.64 | Joback Calculated Property |
| η | 0.0002613 | Pa×s | 551.33 | Joback Calculated Property |
| η | 0.0001534 | Pa×s | 614.01 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 676.69 | Joback Calculated Property |
| η | 0.0000693 | Pa×s | 739.38 | Joback Calculated Property |
| η | 0.0000512 | Pa×s | 802.06 | Joback Calculated Property |
Similar Compounds
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Sources
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