Chemical Properties of 1-Octen-3-ol, 3,7-dimethyl- (CAS 18479-49-7)

InChI

InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3

InChI Key

IUDWWFNDSJRYRV-UHFFFAOYSA-N

Formula

C10H20O

SMILES

C=CC(C)(O)CCCC(C)C

Molecular Weight¹

156.27

CAS

18479-49-7

Other Names

• 3,7-dimethyl-1-octen-3-ol
• 3,7-dimethyloct-1-en-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.53	kJ/mol	Joback Calculated Property
ΔvapH°	61.67	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.33		Relay (1.0) Calculated Property
logPoct/wat	2.750		Crippen Calculated Property
McVol	153.330	ml/mol	McGowan Calculated Property
Inp	[1106.00; 1135.00]
Inp	1119.90		NIST
Inp	1135.00		NIST
Inp	1118.00		NIST
Inp	1124.00		NIST
Inp	1135.00		NIST
Inp	1122.00		NIST
Inp	1124.00		NIST
Inp	Outlier 1106.00		NIST
Inp	1124.00		NIST
Inp	1122.00		NIST
Inp	1124.00		NIST
Inp	1135.00		NIST
Tboil	460.07	K	Relay (1.0) Calculated Property
Tfus	252.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.54; 527.40]	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			-3.00570e+01
Coefficient B			1.09956e+00
Coefficient C			-7.48500e-04
Coefficient D			2.06400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.54	J/mol×K	273.00	Calculated Property
Cp,gas	274.40	J/mol×K	353.78	Calculated Property
Cp,gas	323.35	J/mol×K	434.56	Calculated Property
Cp,gas	366.05	J/mol×K	515.33	Calculated Property
Cp,gas	403.15	J/mol×K	596.11	Calculated Property
Cp,gas	435.29	J/mol×K	676.89	Calculated Property
Cp,gas	463.13	J/mol×K	757.67	Calculated Property
Cp,gas	487.33	J/mol×K	838.44	Calculated Property
Cp,gas	508.54	J/mol×K	919.22	Calculated Property
Cp,gas	527.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0858755; 0.0001803]	Pa×s	[248.94; 480.56]	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			-1.52484e+01
Coefficient B			3.18483e+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.			248.94
Temperature range, max.			480.56
η	0.0858755	Pa×s	248.94	Calculated Property
η	0.0258990	Pa×s	274.68	Calculated Property
η	0.0095916	Pa×s	300.41	Calculated Property
η	0.0041551	Pa×s	326.15	Calculated Property
η	0.0020343	Pa×s	351.88	Calculated Property
η	0.0010978	Pa×s	377.62	Calculated Property
η	0.0006409	Pa×s	403.35	Calculated Property
η	0.0003992	Pa×s	429.09	Calculated Property
η	0.0002623	Pa×s	454.83	Calculated Property
η	0.0001803	Pa×s	480.56	Calculated Property

Similar Compounds

Find more compounds similar to 1-Octen-3-ol, 3,7-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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