Chemical Properties of trans-2-Caren-4-ol (CAS 4017-82-7)

InChI

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

InChI Key

XCIZLAMMPDJKRZ-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1=CC2C(CC1O)C2(C)C

Molecular Weight¹

152.23

CAS

4017-82-7

Other Names

• E-2-Caren-4-ol

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• I : 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
ω	0.4275		Relay (1.0) Calculated Property
ΔfG°	5.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.59	kJ/mol	Joback Calculated Property
ΔvapH°	73.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-2.30		Relay (1.0) 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	[1153.61; 1222.00]
Inp	1153.61		NIST
Inp	1178.00		NIST
Inp	1222.00		NIST
I	1816.00		NIST
Tboil	477.75	K	Relay (1.0) Calculated Property
Tc	714.50	K	Relay (1.0) Calculated Property
Tfus	326.64	K	Relay (1.0) Calculated Property
Vc	0.454	m3/kmol	Relay (1.0) 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 trans-2-Caren-4-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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