- InChI
- InChI=1S/C20H34O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,15,18H,7-8,11-14H2,1-6H3/b19-15+/t18-/m0/s1
- InChI Key
- KOTJSBCCZGEHBD-CMAIMYMYSA-N
- Formula
- C20H34O2
- SMILES
-
CC(C)=CCCC(C)=CC(=O)OCCC(C)CCC
=C(C)C - Molecular Weight1
- 306.48
- 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 | 0.7095 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.995 | Crippen Calculated Property | |
| McVol | 287.200 | ml/mol | McGowan Calculated Property |
| Pc | 1178.47 | kPa | Joback Calculated Property |
| Inp | [2117.00; 2117.00] |
|
|
| Inp | 2117.00 | NIST | |
| Inp | 2117.00 | NIST | |
| Tboil | 591.48 | K | Relay (1.0) Calculated Property |
| Tc | 770.73 | K | Relay (1.0) Calculated Property |
| Tfus | 235.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.007 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.99; 938.05] | J/mol×K | [744.97; 934.31] |
|
| Cp,gas | 837.99 | J/mol×K | 744.97 | Joback Calculated Property |
| Cp,gas | 856.83 | J/mol×K | 776.53 | Joback Calculated Property |
| Cp,gas | 874.73 | J/mol×K | 808.08 | Joback Calculated Property |
| Cp,gas | 891.74 | J/mol×K | 839.64 | Joback Calculated Property |
| Cp,gas | 907.93 | J/mol×K | 871.20 | Joback Calculated Property |
| Cp,gas | 923.34 | J/mol×K | 902.76 | Joback Calculated Property |
| Cp,gas | 938.05 | J/mol×K | 934.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to citronellyl geranylate.
Sources
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