Chemical Properties of 2-Nitro-2-methyl-3-phenyl-1-propanol (CAS 62030-36-8)

InChI

InChI=1S/C10H13NO3/c1-10(8-12,11(13)14)7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3

InChI Key

PLKSTJNBJNDHOL-UHFFFAOYSA-N

Formula

C10H13NO3

SMILES

CC(CO)(Cc1ccccc1)[N+](=O)[O-]

Molecular Weight¹

195.22

CAS

62030-36-8

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• 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
ΔcH°solid	[-5445.40; -5445.40]	kJ/mol
ΔcH°solid	-5445.40 ± 4.40	kJ/mol	NIST
ΔcH°solid	-5445.40 ± 4.40	kJ/mol	NIST
ΔfG°	47.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-184.94	kJ/mol	Joback Calculated Property
ΔfH°solid	[-347.70; -347.70]	kJ/mol
ΔfH°solid	-347.70 ± 4.40	kJ/mol	NIST
ΔfH°solid	-347.70 ± 4.40	kJ/mol	NIST
ΔfusH°	23.73	kJ/mol	Joback Calculated Property
ΔvapH°	72.10	kJ/mol	Joback Calculated Property
log10WS	-2.57		Crippen Calculated Property
logPoct/wat	1.257		Crippen Calculated Property
McVol	151.290	ml/mol	McGowan Calculated Property
Pc	3364.54	kPa	Joback Calculated Property
Tboil	695.67	K	Joback Calculated Property
Tc	922.75	K	Joback Calculated Property
Tfus	435.73	K	Joback Calculated Property
Vc	0.578	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.55; 468.73]	J/mol×K	[695.67; 922.75]
Cp,gas	411.55	J/mol×K	695.67	Joback Calculated Property
Cp,gas	423.08	J/mol×K	733.52	Joback Calculated Property
Cp,gas	433.71	J/mol×K	771.36	Joback Calculated Property
Cp,gas	443.52	J/mol×K	809.21	Joback Calculated Property
Cp,gas	452.57	J/mol×K	847.06	Joback Calculated Property
Cp,gas	460.95	J/mol×K	884.91	Joback Calculated Property
Cp,gas	468.73	J/mol×K	922.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Nitro-2-methyl-3-phenyl-1-propanol.

Sources

• 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.