Chemical Properties of trans-Thujene

InChI

InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m0/s1

InChI Key

KQAZVFVOEIRWHN-UWVGGRQHSA-N

Formula

C10H16

SMILES

CC1=CCC2(C(C)C)CC12

Molecular Weight¹

136.23

• 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.
• 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	0.2792		Relay (1.0) Calculated Property
ΔfG°	167.22	kJ/mol	Joback Calculated Property
ΔfH°gas	49.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.94	kJ/mol	Joback Calculated Property
ΔvapH°	42.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-4.09		Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	125.740	ml/mol	McGowan Calculated Property
Pc	2940.89	kPa	Joback Calculated Property
Inp	[1110.00; 1110.00]
Inp	1110.00		NIST
Inp	1110.00		NIST
Tboil	423.40	K	Relay (1.0) Calculated Property
Tc	647.81	K	Relay (1.0) Calculated Property
Tfus	178.16	K	Relay (1.0) Calculated Property
Vc	0.431	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.80; 360.63]	J/mol×K	[445.62; 651.82]
Cp,gas	274.80	J/mol×K	445.62	Joback Calculated Property
Cp,gas	292.04	J/mol×K	479.99	Joback Calculated Property
Cp,gas	307.91	J/mol×K	514.35	Joback Calculated Property
Cp,gas	322.57	J/mol×K	548.72	Joback Calculated Property
Cp,gas	336.15	J/mol×K	583.09	Joback Calculated Property
Cp,gas	348.79	J/mol×K	617.45	Joback Calculated Property
Cp,gas	360.63	J/mol×K	651.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Thujene.

Sources

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

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