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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	5.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.65	kJ/mol	Joback Calculated Property
ΔfusH°	16.59	kJ/mol	Joback Calculated Property
ΔvapH°	54.90	kJ/mol	NIST
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback 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	533.17	K	Joback Calculated Property
Tc	729.30	K	Joback Calculated Property
Tfus	324.34	K	Joback Calculated Property
Vc	0.502	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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