Chemical Properties of Beta-caran-3-ol (CAS 54631-17-3)

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m0/s1

InChI Key

ZOKKRMIFZVQTTP-KTOWXAHTSA-N

Formula

C10H18O

SMILES

CC1(O)CCC2C(C1)C2(C)C

Molecular Weight¹

154.25

CAS

54631-17-3

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6164.10 ± 2.40	kJ/mol	NIST
ΔfH°gas	-259.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-343.50 ± 2.50	kJ/mol	NIST
ΔfusH°	9.46	kJ/mol	Joback Calculated Property
ΔsubH°	[84.50; 84.50]	kJ/mol
ΔsubH°	84.50 ± 0.40	kJ/mol	NIST
ΔsubH°	84.50	kJ/mol	NIST
logPoct/wat	2.194		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Tfus	341.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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	[354.30; 436.70]	J/mol×K	[529.27; 730.21]
Cp,gas	354.30	J/mol×K	529.27	Joback Calculated Property
Cp,gas	370.25	J/mol×K	562.76	Joback Calculated Property
Cp,gas	385.05	J/mol×K	596.25	Joback Calculated Property
Cp,gas	398.92	J/mol×K	629.74	Joback Calculated Property
Cp,gas	412.02	J/mol×K	663.23	Joback Calculated Property
Cp,gas	424.55	J/mol×K	696.72	Joback Calculated Property
Cp,gas	436.70	J/mol×K	730.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Beta-caran-3-ol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.