Chemical Properties of Bicyclo[4.1.0]heptane, 3,7,7-trimethyl- (CAS 554-59-6)

InChI

InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3

InChI Key

BWRHOYDPVJPXMF-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC1CCC2C(C1)C2(C)C

Molecular Weight¹

138.25

CAS

554-59-6

Other Names

• Carane
• Carane, cis

• 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).
• 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°	121.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.73	kJ/mol	Joback Calculated Property
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	36.08	kJ/mol	Joback Calculated Property
IE	[8.60; 8.84]	eV
IE	8.60	eV	NIST
IE	8.84	eV	NIST
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	130.040	ml/mol	McGowan Calculated Property
Pc	2729.71	kPa	Joback Calculated Property
Tboil	436.85	K	Joback Calculated Property
Tc	642.10	K	Joback Calculated Property
Tfus	250.24	K	Joback Calculated Property
Vc	0.497	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.02; 389.91]	J/mol×K	[436.85; 642.10]
Cp,gas	287.02	J/mol×K	436.85	Joback Calculated Property
Cp,gas	307.28	J/mol×K	471.06	Joback Calculated Property
Cp,gas	326.14	J/mol×K	505.27	Joback Calculated Property
Cp,gas	343.70	J/mol×K	539.47	Joback Calculated Property
Cp,gas	360.10	J/mol×K	573.68	Joback Calculated Property
Cp,gas	375.46	J/mol×K	607.89	Joback Calculated Property
Cp,gas	389.91	J/mol×K	642.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-.

Sources

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

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