- InChI
- InChI=1S/C18H30O4/c1-7-8-9-16(12-13(2)3)22-18(20)11-10-17(19)21-15(6)14(4)5/h13-16H,7,10-12H2,1-6H3
- InChI Key
- KNJFKNGTZNPPSJ-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCC(=O)OC(
C)C(C)C - Molecular Weight1
- 310.43
- 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° | -174.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -653.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.726 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Pc | 1411.18 | kPa | Joback Calculated Property |
| Inp | [1904.00; 1904.00] |
|
|
| Inp | 1904.00 | NIST | |
| Inp | 1904.00 | NIST | |
| Tboil | 771.06 | K | Joback Calculated Property |
| Tc | 968.27 | K | Joback Calculated Property |
| Tfus | 483.04 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.01; 893.13] | J/mol×K | [771.06; 968.27] |
|
| Cp,gas | 804.01 | J/mol×K | 771.06 | Joback Calculated Property |
| Cp,gas | 821.48 | J/mol×K | 803.93 | Joback Calculated Property |
| Cp,gas | 837.88 | J/mol×K | 836.80 | Joback Calculated Property |
| Cp,gas | 853.24 | J/mol×K | 869.66 | Joback Calculated Property |
| Cp,gas | 867.56 | J/mol×K | 902.53 | Joback Calculated Property |
| Cp,gas | 880.85 | J/mol×K | 935.40 | Joback Calculated Property |
| Cp,gas | 893.13 | J/mol×K | 968.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2-methyloct-5-yn-4-yl ester.
Sources
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