Chemical Properties of Thymyl isobutyrate (CAS 5451-67-2)

Thymyl isobutyrate

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InChI
InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3
InChI Key
HTPVUEJWIFHSCK-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
Cc1ccc(C(C)C)c(OC(=O)C(C)C)c1
Molecular Weight1
220.31
CAS
5451-67-2
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Physical Properties

Property Value Unit Source
Δf -78.65 kJ/mol Joback Calculated Property
Δfgas -374.06 kJ/mol Joback Calculated Property
Δfus 21.02 kJ/mol Joback Calculated Property
Δvap 58.74 kJ/mol Joback Calculated Property
log10WS -4.04 Crippen Calculated Property
logPoct/wat 3.680 Crippen Calculated Property
McVol 191.800 ml/mol McGowan Calculated Property
Pc 2068.00 kPa Joback Calculated Property
Inp [1447.00; 1480.40]   Show Hide
Inp 1458.00 NIST
Inp 1460.00 NIST
Inp 1447.00 NIST
Inp 1458.00 NIST
Inp 1458.00 NIST
Inp 1458.00 NIST
Inp 1480.40 NIST
Inp 1460.00 NIST
Inp 1447.00 NIST
Inp 1480.40 NIST
I [1889.00; 1889.00]   Show Hide
I 1889.00 NIST
I 1889.00 NIST
I 1889.00 NIST
I 1889.00 NIST
Tboil 631.77 K Joback Calculated Property
Tc 841.45 K Joback Calculated Property
Tfus 341.16 K Joback Calculated Property
Vc 0.724 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [494.38; 580.66] J/mol×K [631.77; 841.45] Show Hide
Cp,gas 494.38 J/mol×K 631.77 Joback Calculated Property
Cp,gas 511.02 J/mol×K 666.72 Joback Calculated Property
Cp,gas 526.73 J/mol×K 701.66 Joback Calculated Property
Cp,gas 541.53 J/mol×K 736.61 Joback Calculated Property
Cp,gas 555.44 J/mol×K 771.56 Joback Calculated Property
Cp,gas 568.48 J/mol×K 806.51 Joback Calculated Property
Cp,gas 580.66 J/mol×K 841.45 Joback Calculated Property
η [0.0001281; 0.0019087] Pa×s [341.16; 631.77] Show Hide
η 0.0019087 Pa×s 341.16 Joback Calculated Property
η 0.0009197 Pa×s 389.60 Joback Calculated Property
η 0.0005208 Pa×s 438.03 Joback Calculated Property
η 0.0003303 Pa×s 486.47 Joback Calculated Property
η 0.0002275 Pa×s 534.90 Joback Calculated Property
η 0.0001667 Pa×s 583.34 Joback Calculated Property
η 0.0001281 Pa×s 631.77 Joback Calculated Property

Similar Compounds

Thymyl 2-methylbutyrate. Carvacrol isobutyrate. Phenol, 5-methyl-2-(1-methylethyl)-, acetate. 6-Methoxythymyl isobutyrate. 5-methyl-2-(isopropyl)phenyl isovalerate. thymyl valerate. Isothymol isobutyrate. 2-(Isobutyryloxy)-thymol methyl ether. Thymyl methacrylate. 6-Methoxythymyl 2-methylbutyrate. Thymyl tiglate. Thymyl angelate. Thymyl formate. isothymyl butyrate. 2-Ethylbutyric acid, 2-isopropylphenyl ester.

Find more compounds similar to Thymyl isobutyrate.

Sources

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