Chemical Properties of 1,2-Octanediol (CAS 1117-86-8)

InChI

InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3

InChI Key

AEIJTFQOBWATKX-UHFFFAOYSA-N

Formula

C8H18O2

SMILES

CCCCCCC(O)CO

Molecular Weight¹

146.23

CAS

1117-86-8

Other Names

• 1,2-Dihydroxyoctane
• 1,2-Octylene glycol
• octane-1,2-diol

• 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).
• 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_boilr : Boiling point at reduced pressure (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°	-259.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-518.19	kJ/mol	Joback Calculated Property
ΔfusH°	21.13	kJ/mol	Joback Calculated Property
ΔvapH°	66.37	kJ/mol	Joback Calculated Property
log10WS	-1.81		Crippen Calculated Property
logPoct/wat	1.310		Crippen Calculated Property
McVol	135.320	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
Inp	[1204.00; 1214.00]
Inp	1204.00		NIST
Inp	1214.00		NIST
Tboil	566.36	K	Joback Calculated Property
Tc	725.59	K	Joback Calculated Property
Tfus	[302.65; 303.40]	K
Tfus	302.65 ± 1.50	K	NIST
Tfus	303.40 ± 0.30	K	NIST
Vc	0.515	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.21; 401.45]	J/mol×K	[566.36; 725.59]
Cp,gas	345.21	J/mol×K	566.36	Joback Calculated Property
Cp,gas	355.57	J/mol×K	592.90	Joback Calculated Property
Cp,gas	365.52	J/mol×K	619.44	Joback Calculated Property
Cp,gas	375.08	J/mol×K	645.97	Joback Calculated Property
Cp,gas	384.24	J/mol×K	672.51	Joback Calculated Property
Cp,gas	393.03	J/mol×K	699.05	Joback Calculated Property
Cp,gas	401.45	J/mol×K	725.59	Joback Calculated Property
η	[0.0000436; 0.1095688]	Pa×s	[286.56; 566.36]
η	0.1095688	Pa×s	286.56	Joback Calculated Property
η	0.0119272	Pa×s	333.19	Joback Calculated Property
η	0.0022382	Pa×s	379.83	Joback Calculated Property
η	0.0006056	Pa×s	426.46	Joback Calculated Property
η	0.0002120	Pa×s	473.09	Joback Calculated Property
η	0.0000896	Pa×s	519.73	Joback Calculated Property
η	0.0000436	Pa×s	566.36	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[407.12; 541.93]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72361e+01
Coefficient B			-5.42315e+03
Coefficient C			-8.71420e+01
Temperature range, min.			407.12
Temperature range, max.			541.93
Pvap	1.33	kPa	407.12	Calculated Property
Pvap	2.84	kPa	422.10	Calculated Property
Pvap	5.69	kPa	437.08	Calculated Property
Pvap	10.75	kPa	452.06	Calculated Property
Pvap	19.31	kPa	467.04	Calculated Property
Pvap	33.19	kPa	482.01	Calculated Property
Pvap	54.82	kPa	496.99	Calculated Property
Pvap	87.41	kPa	511.97	Calculated Property
Pvap	135.02	kPa	526.95	Calculated Property
Pvap	202.66	kPa	541.93	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Octanediol.

Sources

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

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