Chemical Properties of Carotol (CAS 465-28-1)

InChI

InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1

InChI Key

XZYQCFABZDVOPN-ILXRZTDVSA-N

Formula

C15H26O

SMILES

CC1=CCC2(C)CCC(C(C)C)C2(O)CC1

Molecular Weight¹

222.37

CAS

465-28-1

Other Names

• 3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3«alpha»,3a«alpha»,8a«alpha»)]-
• 3a«alpha»(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3«alpha»-isopropyl-6,8a«alpha»-dimethyl-, (+)-
• (+)-Carotol
• Carotol, (+)-
• cis-Dauc-8-en-5«beta»-ol
• cis-Dauc-8-en-5«beta»-ol (Carotol)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.35	kJ/mol	Joback Calculated Property
ΔvapH°	77.34	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Inp	[1552.00; 1614.00]
Inp	1598.00		NIST
Inp	1597.00		NIST
Inp	1603.00		NIST
Inp	1594.00		NIST
Inp	1598.00		NIST
Inp	1594.00		NIST
Inp	1594.00		NIST
Inp	1596.00		NIST
Inp	1594.00		NIST
Inp	1612.30		NIST
Inp	1594.00		NIST
Inp	1604.00		NIST
Inp	1593.00		NIST
Inp	1595.00		NIST
Inp	1590.00		NIST
Inp	1590.00		NIST
Inp	1593.00		NIST
Inp	1596.00		NIST
Inp	1587.00		NIST
Inp	1587.00		NIST
Inp	1594.00		NIST
Inp	1592.00		NIST
Inp	1594.00		NIST
Inp	1574.00		NIST
Inp	1596.00		NIST
Inp	1573.00		NIST
Inp	Outlier 1552.00		NIST
Inp	1591.00		NIST
Inp	Outlier 1560.00		NIST
Inp	1592.00		NIST
Inp	1600.00		NIST
Inp	1600.00		NIST
Inp	1568.00		NIST
Inp	1594.00		NIST
Inp	1614.00		NIST
Inp	1595.00		NIST
Inp	1603.00		NIST
Inp	1594.00		NIST
Inp	1590.00		NIST
Inp	1573.00		NIST
Inp	1600.00		NIST
Inp	1568.00		NIST
Inp	1612.30		NIST
Inp	1597.00		NIST
I	[2011.00; 2045.00]
I	2019.00		NIST
I	2011.00		NIST
I	2019.00		NIST
I	2033.00		NIST
I	2024.00		NIST
I	2045.00		NIST
I	2045.00		NIST
I	2045.00		NIST
I	2045.00		NIST
I	2026.00		NIST
I	2045.00		NIST
I	2014.00		NIST
I	2019.00		NIST
I	2011.00		NIST
I	2045.00		NIST
Tboil	549.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.44; 701.57]	J/mol×K	[664.85; 877.11]
Cp,gas	592.44	J/mol×K	664.85	Joback Calculated Property
Cp,gas	611.95	J/mol×K	700.23	Joback Calculated Property
Cp,gas	630.65	J/mol×K	735.60	Joback Calculated Property
Cp,gas	648.74	J/mol×K	770.98	Joback Calculated Property
Cp,gas	666.45	J/mol×K	806.36	Joback Calculated Property
Cp,gas	683.99	J/mol×K	841.73	Joback Calculated Property
Cp,gas	701.57	J/mol×K	877.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carotol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.