Chemical Properties of Carene, 3,4-epoxide

InChI

InChI=1S/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3/t6-,7+,8?,10?/m1/s1

InChI Key

AGHSZSJVJPSERC-CCSIGSMKSA-N

Formula

C10H16O

SMILES

CC12CC3C(CC1O2)C3(C)C

Molecular Weight¹

152.23

• 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.
• 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
ΔfG°	115.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.37	kJ/mol	Joback Calculated Property
ΔfusH°	15.69	kJ/mol	Joback Calculated Property
ΔvapH°	39.01	kJ/mol	Joback Calculated Property
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.210		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Pc	3093.29	kPa	Joback Calculated Property
Inp	[1131.00; 1131.00]
Inp	1131.00		NIST
Inp	1131.00		NIST
I	1438.00		NIST
Tboil	462.24	K	Joback Calculated Property
Tc	676.49	K	Joback Calculated Property
Tfus	325.69	K	Joback Calculated Property
Vc	0.489	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.28; 399.67]	J/mol×K	[462.24; 676.49]
Cp,gas	308.28	J/mol×K	462.24	Joback Calculated Property
Cp,gas	327.25	J/mol×K	497.95	Joback Calculated Property
Cp,gas	344.37	J/mol×K	533.66	Joback Calculated Property
Cp,gas	359.91	J/mol×K	569.37	Joback Calculated Property
Cp,gas	374.13	J/mol×K	605.08	Joback Calculated Property
Cp,gas	387.30	J/mol×K	640.78	Joback Calculated Property
Cp,gas	399.67	J/mol×K	676.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carene, 3,4-epoxide.

Sources

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

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