Chemical Properties of Tetrahydrolavandulol (CAS 41884-28-0)

InChI

InChI=1S/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3/t10-/m1/s1

InChI Key

SFIQHFBITUEIBP-SNVBAGLBSA-N

Formula

C10H22O

SMILES

CC(C)CCC(CO)C(C)C

Molecular Weight¹

158.28

CAS

41884-28-0

Other Names

• (R)-2-isopropyl-5-methylhexanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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	0.6302		Relay (1.0) Calculated Property
ΔfG°	-110.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	74.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.687		Crippen Calculated Property
McVol	157.630	ml/mol	McGowan Calculated Property
Pc	2351.92	kPa	Joback Calculated Property
Inp	[1123.00; 1150.00]
Inp	1145.90		NIST
Inp	1123.00		NIST
Inp	1150.00		NIST
Inp	1150.00		NIST
I	1600.00		NIST
Tboil	483.30	K	Relay (1.0) Calculated Property
Tc	669.78	K	Relay (1.0) Calculated Property
Tfus	233.77	K	Relay (1.0) Calculated Property
Vc	0.547	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.18; 555.52]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.95700e+00
Coefficient B			1.00558e+00
Coefficient C			-5.60200e-04
Coefficient D			1.16100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.18	J/mol×K	273.00	Calculated Property
Cp,gas	284.82	J/mol×K	353.78	Calculated Property
Cp,gas	334.76	J/mol×K	434.56	Calculated Property
Cp,gas	379.37	J/mol×K	515.33	Calculated Property
Cp,gas	419.01	J/mol×K	596.11	Calculated Property
Cp,gas	454.04	J/mol×K	676.89	Calculated Property
Cp,gas	484.85	J/mol×K	757.67	Calculated Property
Cp,gas	511.78	J/mol×K	838.44	Calculated Property
Cp,gas	535.22	J/mol×K	919.22	Calculated Property
Cp,gas	555.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.3779599; 0.0001686]	Pa×s	[218.28; 480.64]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.51066e+01
Coefficient B			3.08509e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			218.28
Temperature range, max.			480.64
η	0.3779599	Pa×s	218.28	Calculated Property
η	0.0714942	Pa×s	247.43	Calculated Property
η	0.0192105	Pa×s	276.58	Calculated Property
η	0.0066320	Pa×s	305.73	Calculated Property
η	0.0027553	Pa×s	334.89	Calculated Property
η	0.0013176	Pa×s	364.04	Calculated Property
η	0.0007029	Pa×s	393.19	Calculated Property
η	0.0004090	Pa×s	422.34	Calculated Property
η	0.0002552	Pa×s	451.49	Calculated Property
η	0.0001686	Pa×s	480.64	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrolavandulol.

Sources

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

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