- InChI
- InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-33-29(31)22-16-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,28H,5-19,21-26H2,1-4H3
- InChI Key
- PLHZYVHXJZJSTE-UHFFFAOYSA-N
- Formula
- C30H56O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCC(=O)O
CCC(C)CCC=C(C)C - Molecular Weight1
- 480.76
- 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° | -196.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.34 | kJ/mol | Joback Calculated Property |
| log10WS | -9.72 | Crippen Calculated Property | |
| logPoct/wat | 9.107 | Crippen Calculated Property | |
| McVol | 444.140 | ml/mol | McGowan Calculated Property |
| Pc | 643.85 | kPa | Joback Calculated Property |
| Inp | 3267.00 | NIST | |
| Tboil | 1041.98 | K | Joback Calculated Property |
| Tc | 1299.12 | K | Joback Calculated Property |
| Tfus | 538.14 | K | Joback Calculated Property |
| Vc | 1.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1576.77; 1687.78] | J/mol×K | [1041.98; 1299.12] | 
|
| Cp,gas | 1576.77 | J/mol×K | 1041.98 | Joback Calculated Property |
| Cp,gas | 1600.08 | J/mol×K | 1084.84 | Joback Calculated Property |
| Cp,gas | 1621.31 | J/mol×K | 1127.69 | Joback Calculated Property |
| Cp,gas | 1640.56 | J/mol×K | 1170.55 | Joback Calculated Property |
| Cp,gas | 1657.97 | J/mol×K | 1213.40 | Joback Calculated Property |
| Cp,gas | 1673.67 | J/mol×K | 1256.26 | Joback Calculated Property |
| Cp,gas | 1687.78 | J/mol×K | 1299.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl tetradecyl ester.
Sources
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