Chemical Properties of (+)-cis-Verbenol (CAS 13040-03-4)

InChI

InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1

InChI Key

WONIGEXYPVIKFS-YIZRAAEISA-N

Formula

C10H16O

SMILES

CC1=CC(O)C2CC1C2(C)C

Molecular Weight¹

152.23

CAS

13040-03-4

Other Names

• [1R-(1«alpha»,2«beta»,5«alpha»)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.59	kJ/mol	Joback Calculated Property
ΔvapH°	54.90	kJ/mol	NIST
IE	8.72	eV	Relay (1.0) Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Inp	[1111.03; 1157.08]
Inp	1126.57		NIST
Inp	1130.41		NIST
Inp	1134.42		NIST
Inp	1138.60		NIST
Inp	1143.00		NIST
Inp	1147.53		NIST
Inp	1152.23		NIST
Inp	1157.08		NIST
Inp	1116.45		NIST
Inp	1119.53		NIST
Inp	1122.95		NIST
Inp	1126.88		NIST
Inp	1130.67		NIST
Inp	1134.65		NIST
Inp	1138.83		NIST
Inp	1143.13		NIST
Inp	1147.55		NIST
Inp	1152.35		NIST
Inp	1111.03		NIST
Inp	1113.76		NIST
Inp	1116.73		NIST
Inp	1119.91		NIST
Inp	1123.29		NIST
Inp	1126.57		NIST
Inp	1147.53		NIST
Inp	1122.95		NIST
Inp	1143.13		NIST
Inp	1116.73		NIST
Tboil	486.43	K	Relay (1.0) Calculated Property
Tfus	354.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[336.85; 413.40]	J/mol×K	[533.17; 729.30]
Cp,gas	336.85	J/mol×K	533.17	Joback Calculated Property
Cp,gas	351.53	J/mol×K	565.86	Joback Calculated Property
Cp,gas	365.30	J/mol×K	598.55	Joback Calculated Property
Cp,gas	378.26	J/mol×K	631.23	Joback Calculated Property
Cp,gas	390.53	J/mol×K	663.92	Joback Calculated Property
Cp,gas	402.21	J/mol×K	696.61	Joback Calculated Property
Cp,gas	413.40	J/mol×K	729.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-cis-Verbenol.

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.