Chemical Properties of trans-Ocimene oxide

InChI

InChI=1S/C9H14O/c1-7(2)5-4-6-9-8(3)10-9/h4-6,8-9H,1-3H3/b6-4+/t8-,9-/m1/s1

InChI Key

OWSPFEVOQIITLR-FVOAXITGSA-N

Formula

C9H14O

SMILES

CC(C)=CC=CC1OC1C

Molecular Weight¹

138.21

• 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°	143.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-83.98	kJ/mol	Joback Calculated Property
ΔfusH°	25.35	kJ/mol	Joback Calculated Property
ΔvapH°	39.74	kJ/mol	Joback Calculated Property
log10WS	-2.50		Crippen Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	124.080	ml/mol	McGowan Calculated Property
Pc	2814.34	kPa	Joback Calculated Property
Inp	[1141.00; 1141.00]
Inp	1141.00		NIST
Inp	1141.00		NIST
Tboil	442.54	K	Joback Calculated Property
Tc	641.03	K	Joback Calculated Property
Tfus	207.34	K	Joback Calculated Property
Vc	0.477	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.17; 337.54]	J/mol×K	[442.54; 641.03]
Cp,gas	259.17	J/mol×K	442.54	Joback Calculated Property
Cp,gas	274.36	J/mol×K	475.62	Joback Calculated Property
Cp,gas	288.63	J/mol×K	508.70	Joback Calculated Property
Cp,gas	302.02	J/mol×K	541.79	Joback Calculated Property
Cp,gas	314.60	J/mol×K	574.87	Joback Calculated Property
Cp,gas	326.42	J/mol×K	607.95	Joback Calculated Property
Cp,gas	337.54	J/mol×K	641.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Ocimene oxide.

Sources

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

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