Chemical Properties of Cyclohexane, 1,1,3,5-tetramethyl-, trans- (CAS 50876-31-8)

InChI

InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1

InChI Key

WOJSMJIXPQLESQ-IUCAKERBSA-N

Formula

C10H20

SMILES

CC1CC(C)CC(C)(C)C1

Molecular Weight¹

140.27

CAS

50876-31-8

Other Names

• 1,1,3,5-Tetramethylcyclohexane, (E)-
• trans-1,1,3,5-Tetramethylcyclohexane

• 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).
• P_vap : Vapor 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°	36.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-220.85	kJ/mol	Joback Calculated Property
ΔfusH°	9.33	kJ/mol	Joback Calculated Property
ΔvapH°	36.51	kJ/mol	Joback Calculated Property
log10WS	-3.18		Crippen Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	140.900	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	932.00		NIST
Tboil	[429.49; 429.60]	K
Tboil	429.49 ± 0.20	K	NIST
Tboil	429.60 ± 1.00	K	NIST
Tc	643.42	K	Joback Calculated Property
Tfus	225.26	K	Joback Calculated Property
Vc	0.524	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.31; 408.21]	J/mol×K	[438.65; 643.42]
Cp,gas	300.31	J/mol×K	438.65	Joback Calculated Property
Cp,gas	321.00	J/mol×K	472.78	Joback Calculated Property
Cp,gas	340.50	J/mol×K	506.91	Joback Calculated Property
Cp,gas	358.88	J/mol×K	541.03	Joback Calculated Property
Cp,gas	376.24	J/mol×K	575.16	Joback Calculated Property
Cp,gas	392.65	J/mol×K	609.29	Joback Calculated Property
Cp,gas	408.21	J/mol×K	643.42	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[316.14; 457.68]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43826e+01
Coefficient B			-3.60229e+03
Coefficient C			-6.05640e+01
Temperature range, min.			316.14
Temperature range, max.			457.68
Pvap	1.33	kPa	316.14	Calculated Property
Pvap	3.02	kPa	331.87	Calculated Property
Pvap	6.25	kPa	347.59	Calculated Property
Pvap	11.99	kPa	363.32	Calculated Property
Pvap	21.58	kPa	379.05	Calculated Property
Pvap	36.75	kPa	394.77	Calculated Property
Pvap	59.65	kPa	410.50	Calculated Property
Pvap	92.87	kPa	426.23	Calculated Property
Pvap	139.41	kPa	441.95	Calculated Property
Pvap	202.64	kPa	457.68	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1,3,5-tetramethyl-, trans-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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