- InChI
- InChI=1S/C18H30O2/c1-7-17(19)20-18(6,8-2)14-10-13-16(5)12-9-11-15(3)4/h8,11,13H,2,7,9-10,12,14H2,1,3-6H3/b16-13-
- InChI Key
- NPSBIIPKEQTFPA-SSZFMOIBSA-N
- Formula
- C18H30O2
- SMILES
-
C=CC(C)(CCC=C(C)CCC=C(C)C)OC(=
O)CC - Molecular Weight1
- 278.43
- Other Names
-
- trans-nerolidyl propanoate
- 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 | 0.5912 | Relay (1.0) Calculated Property | |
| ΔfG° | 100.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.357 | Crippen Calculated Property | |
| McVol | 259.020 | ml/mol | McGowan Calculated Property |
| Pc | 1346.69 | kPa | Joback Calculated Property |
| Inp | [1829.00; 1850.00] |
|
|
| Inp | 1829.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Inp | 1829.00 | NIST | |
| Tboil | 564.62 | K | Relay (1.0) Calculated Property |
| Tc | 730.74 | K | Relay (1.0) Calculated Property |
| Tfus | 233.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.909 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.33; 819.26] | J/mol×K | [689.06; 879.50] |
|
| Cp,gas | 723.33 | J/mol×K | 689.06 | Joback Calculated Property |
| Cp,gas | 741.55 | J/mol×K | 720.80 | Joback Calculated Property |
| Cp,gas | 758.80 | J/mol×K | 752.54 | Joback Calculated Property |
| Cp,gas | 775.14 | J/mol×K | 784.28 | Joback Calculated Property |
| Cp,gas | 790.61 | J/mol×K | 816.02 | Joback Calculated Property |
| Cp,gas | 805.30 | J/mol×K | 847.76 | Joback Calculated Property |
| Cp,gas | 819.26 | J/mol×K | 879.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nerolidyl propionate.
Sources
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