Chemical Properties of (Z)-Ligustilide

(Z)-Ligustilide

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InChI
InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
InChI Key
WMBOCUXXNSOQHM-DHZHZOJOSA-N
Formula
C12H12O2
SMILES
CCCC=C1OC(=O)c2ccccc21
Molecular Weight1
188.22
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Physical Properties

Property Value Unit Source
Δf 58.15 kJ/mol Joback Calculated Property
Δfgas -166.48 kJ/mol Joback Calculated Property
Δfus 25.36 kJ/mol Joback Calculated Property
Δvap 55.01 kJ/mol Joback Calculated Property
log10WS -3.76 Crippen Calculated Property
logPoct/wat 2.998 Crippen Calculated Property
McVol 148.460 ml/mol McGowan Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Inp [1698.00; 1741.00]   Show Hide
Inp 1741.00 NIST
Inp 1717.00 NIST
Inp 1698.00 NIST
Inp 1714.00 NIST
Inp 1741.00 NIST
I [2609.00; 2609.00]   Show Hide
I 2609.00 NIST
I 2609.00 NIST
Tboil 618.44 K Joback Calculated Property
Tc 853.60 K Joback Calculated Property
Tfus 391.27 K Joback Calculated Property
Vc 0.569 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [369.95; 442.57] J/mol×K [618.44; 853.60] Show Hide
Cp,gas 369.95 J/mol×K 618.44 Joback Calculated Property
Cp,gas 384.23 J/mol×K 657.63 Joback Calculated Property
Cp,gas 397.57 J/mol×K 696.83 Joback Calculated Property
Cp,gas 410.03 J/mol×K 736.02 Joback Calculated Property
Cp,gas 421.65 J/mol×K 775.21 Joback Calculated Property
Cp,gas 432.48 J/mol×K 814.40 Joback Calculated Property
Cp,gas 442.57 J/mol×K 853.60 Joback Calculated Property

Similar Compounds

1(3H)-Isobenzofuranone, 3-butylidene-. (E)-3-Butylidene phthalide. 3-Butylidenephthalide, (Z)-. Lingustilide. Ligustilide. Isobutylidene phthalide. trans-3n- butylidene phthalide. Sertraline (ketone), enol, acetyl. Cytosine arabinoside, methyl-TMS derivative. Cytidine, methyl-TMS derivative. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. «alpha»-Pseudouridine, TMS. 5-Hydroxyuracil riboside, TMS. uridine, TMS. 18-Hydroxyoestrone (enol), TMS.

Find more compounds similar to (Z)-Ligustilide.

Sources

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