- InChI
- InChI=1S/C30H58O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(31)32-27-26-29(4)24-22-23-28(2)3/h23,29H,5-22,24-27H2,1-4H3
- InChI Key
- FOLPDVUJZANDCH-UHFFFAOYSA-N
- Formula
- C30H58O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)OCCC(C
)CCC=C(C)C - Molecular Weight1
- 450.78
- 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 | 1.1953 | Relay (... Calculated Property | |
| ΔfG° | 37.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.10 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 71.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.67 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -9.32 | Relay (... Calculated Property | |
| logPoct/wat | 10.344 | Crippen Calculated Property | |
| McVol | 436.700 | ml/mol | McGowan Calculated Property |
| Pc | 629.08 | kPa | Joback Calculated Property |
| Inp | [3118.90; 3118.90] |
|
|
| Inp | 3118.90 | NIST | |
| Inp | 3118.90 | NIST | |
| Tboil | 665.59 | K | Relay (... Calculated Property |
| Tc | 846.27 | K | Relay (... Calculated Property |
| Tfus | 291.08 | K | Relay (... Calculated Property |
| Vc | 1.652 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1521.45; 1649.63] | J/mol×K | [965.69; 1192.95] |
|
| Cp,gas | 1521.45 | J/mol×K | 965.69 | Joback Calculated Property |
| Cp,gas | 1546.55 | J/mol×K | 1003.57 | Joback Calculated Property |
| Cp,gas | 1570.02 | J/mol×K | 1041.44 | Joback Calculated Property |
| Cp,gas | 1591.96 | J/mol×K | 1079.32 | Joback Calculated Property |
| Cp,gas | 1612.46 | J/mol×K | 1117.20 | Joback Calculated Property |
| Cp,gas | 1631.65 | J/mol×K | 1155.08 | Joback Calculated Property |
| Cp,gas | 1649.63 | J/mol×K | 1192.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl icosanoate.
Sources
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