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

• 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).
• 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	0.2919		Relay (1.0) Calculated Property
ΔfG°	121.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-87.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	45.12	kJ/mol	Relay (1.0) Calculated Property
IE	[8.60; 8.84]	eV
IE	8.60	eV	NIST
IE	8.84	eV	NIST
log10WS	-5.02		Relay (1.0) 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	435.72	K	Relay (1.0) Calculated Property
Tc	655.90	K	Relay (1.0) Calculated Property
Tfus	210.51	K	Relay (1.0) Calculated Property
Vc	0.453	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.