Chemical Properties of Vitispirane (CAS 65416-59-3)

Vitispirane

InChI
InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3
InChI Key
DUPDJVDPPBFBPL-UHFFFAOYSA-N
Formula
C13H20O
SMILES
C=C1C=CCC(C)(C)C12CCC(C)O2
Molecular Weight1
192.30
CAS
65416-59-3
Other Names
  • Vitispirane I
  • Vitispirane II
  • 2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene
  • 2,10,10-trimethyl-6-methylene-1-oxaspiro[4.5]dec-7-ene
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Physical Properties

Property Value Unit Source
ΔfusH° 13.81 kJ/mol Joback Calculated Property
logPoct/wat 3.466 Crippen Calculated Property
McVol 169.580 ml/mol McGowan Calculated Property
Inp [1242.00; 1315.00]   Show Hide
Inp 1279.00 NIST
Inp 1260.00 NIST
Inp 1272.00 NIST
Inp 1272.00 NIST
Inp 1268.00 NIST
Inp 1276.00 NIST
Inp 1271.00 NIST
Inp 1271.00 NIST
Inp Outlier 1242.00 NIST
Inp 1270.00 NIST
Inp Outlier 1315.00 NIST
Inp 1286.00 NIST
Inp 1272.00 NIST
Inp 1292.00 NIST
Inp 1260.00 NIST
Inp 1281.00 NIST
Inp 1281.00 NIST
Inp 1260.00 NIST
Inp 1279.00 NIST
Ip [1505.00; 1543.00]   Show Hide
Ip 1505.00 NIST
Ip 1515.00 NIST
Ip 1524.00 NIST
Ip 1528.00 NIST
Ip 1513.00 NIST
Ip 1513.00 NIST
Ip 1527.00 NIST
Ip 1543.00 NIST
Ip 1515.00 NIST
Ip 1507.00 NIST
Ip 1510.00 NIST
Ip 1507.00 NIST
Ip 1535.00 NIST
Ip 1524.00 NIST
Ip 1543.00 NIST
Ip 1515.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [216.61; 634.23] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.76550e+02
Coefficient B1.88306e+00
Coefficient C-1.82898e-03
Coefficient D7.56700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 216.61 J/mol×K 273.00 Calculated Property
Cp,gas 294.23 J/mol×K 353.78 Calculated Property
Cp,gas 358.46 J/mol×K 434.56 Calculated Property
Cp,gas 411.69 J/mol×K 515.33 Calculated Property
Cp,gas 456.33 J/mol×K 596.11 Calculated Property
Cp,gas 494.75 J/mol×K 676.89 Calculated Property
Cp,gas 529.36 J/mol×K 757.67 Calculated Property
Cp,gas 562.55 J/mol×K 838.44 Calculated Property
Cp,gas 596.71 J/mol×K 919.22 Calculated Property
Cp,gas 634.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

Vitispirane A. trans-Vitispirane. cis-Vitispirane. Vitispirane B. 2,10,10-Trimethyl-6-methylene-1-oxaspiro[4.5]-dec-7-en-2-ol. (E)-Theaspirane. theaspirane. cis-theaspirane. 2,6,10,10-Tetramethyl- 1-oxaspiro[ 4.5]dec-6-ene-2,8-diol, TMS. Triamcinolone Acetonide. Triamcinolone diacetate. 2,10,10-Trimethyl6-methylene-1-oxaspiro[4.5]deca-2,7-diene. GA59, MeTMS. GA95(1,2-didehydroGA20) isolactone, MeTMS. GA20(w1,2), MeTMS.

Find more compounds similar to Vitispirane.

Sources

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